G4VL13_SCHMA Loading...

Serine/arginine repetitive matrix protein 2

AlphaFold DB , UniProt , Accession G4VL13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,058 aa.

						>G4VL13_SCHMA|G4VL13
MDPAVISALHCLENDHHEQLDFEDENFPINPWETELLSLKNNKREYHESSASSSSSESSESSPYDEGEMRSSDESEFSKDEQSSEEGEVQSEIDEIEGTADVVVKKDETPWERGLRLARERLERAKALKAKEKDLVEKRMNLPVPAPVVDKKTETPVEDDFLWPCYYQVCIIGRTELTGHRYLPEDILPPSAKETAEWRRRVTKHRRSRSTSRRFSSASSSSSVSSSSRSSSRSSAASSNISSLASVAVSWKETCAKAMKPYLRSPRRHGKYDSRHSSATNSRSSDSDSGSCRSRSSYPTAASGVRSGAMNDRGRSYWGAGKHRGRNIESGNSSASRSGSKSSAGSRGRTSGGNQTWFRGPGGRGGDSKNKTGRRSKSPVTSPPRRRTDVPPLPNERPVKRPWAIAPSLATTAQNVSKGDGHTKERSHSSSKSPSPSGVKDTEEKRYITSWSRSPSSGGENGRDVTVHRHERLPDVIPGPPHVRNRRGGVASPLRRKKSRSPFADDATKPSTLTNWAPKSVNHPENARNDMPNSQTSTINNNQNCPIVIEKQHIEPEELYRPSNTDTLSNNVVNSTQSAATGGAAGELPPNRPGVRLTLAPRMKAAPVGISSLANAAPSRTSTNRLPPQPSSPPQSRQIRPPGVPILHRHTSPIDTNQHSTVGTNIINMPMTQTQVRLQAEAAAAALEIRERRRAAAEAANKNRRPRRRKRTDLESIPVRGRPTYRRKSFSASSEASGSSSSSNSSRSPSSGRSRSDSGRPAAIRHNPAGRQAPLVKHDQEAVRPSGRRRARQDTQRTSLKEIDENTTTRRHVGRSMLLNSIDPREPLEYVRHAKQSDFNERSMHRTRGTDQFIQKPIQSMKRPYPSGVEEMPVRQRPERDSRLPGAHYPNPSVDELHRVGNPESRRTAVSQFNMSTKERIIRPRTPHGLEMIDFRSRSPHADVDILPKIIRLDRDQYRRVNYDVPDVSVCEKSSADLTVVDTTDSFGAKRARSRHRSRGPGVTIDRSEPFESDTGSFAAEQRLRKLRERLNLVDDAIAEIKAGTGVQSNFNFGDIRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	47.3	Very low	218 Å²	218	124.6 Å²	124.6	100%	1.074	73%	0.73	S	S	*	*				0	60.6	0	-41.4	-40.3	178	0	0	112.6
2	D	42.4	Very low	46.8	Very low	123 Å²	123	128.8 Å²	128.8	66%	0.658	75%	0.746	S	S	*	*			cis	-145.2	134	-13.3	-87	-26.8	0	0	0	112.3	A4	D2-A4 PolarHBondContact O-N 2.63Å
3	P	49.7	Very low	46.1	Very low	92 Å²	92	129.7 Å²	129.7	60%	0.597	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-77.8	-5.7	179.5	33.2	-35.9	0	0	0	113.5	V5 I6	P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 2.85Å; P3-I6 WeakPolarHBondContact O-CB 3.24Å; P3-I6 PolarHBondContact O-N 3.26Å
4	A	52.4	Low	45.7	Very low	73 Å²	73	130.3 Å²	130.3	60%	0.603	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-66.8	-19.4	-169.3	0	0	0	0	0	115.3	D2 I6	D2-A4 PolarHBondContact O-N 2.63Å; A4-I6 VanDerWaalsContact C-N 3.28Å; A4-I6 PolarHBondContact O-N 2.63Å
5	V	50.8	Low	45.5	Very low	128 Å²	128	130.8 Å²	130.8	78%	0.776	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-76.6	-17.6	178.7	-173.8	0	0	0	0	112	P3 S7	P3-V5 VanDerWaalsContact C-N 3.27Å; P3-V5 PolarHBondContact O-N 2.85Å; V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 3.29Å
6	I	53.6	Low	45.6	Very low	141 Å²	141	133.4 Å²	133.4	72%	0.723	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-71.5	-22.6	-177	-62	171.9	0	0	0	111.7	P3 A4	P3-I6 WeakPolarHBondContact O-CB 3.24Å; P3-I6 PolarHBondContact O-N 3.26Å; A4-I6 VanDerWaalsContact C-N 3.28Å; A4-I6 PolarHBondContact O-N 2.63Å
7	S	51.7	Low	45.2	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-93.8	1.5	-171.3	-46.7	0	0	0	0	115.5	V5	V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 3.29Å
8	A	46.2	Very low	45.4	Very low	77 Å²	77	136.1 Å²	136.1	64%	0.636	74%	0.741	S	S	*	*	S	Bend	trans	-100.3	-6	-163.5	0	0	0	0	0	116.4
9	L	43.6	Very low	45.1	Very low	172 Å²	172	137.5 Å²	137.5	90%	0.901	74%	0.742	S	S	*	*	S	Bend	trans	-135	16.8	178.4	-79.4	175.3	0	0	0	113.9	C11	L9-C11 PolarHBondContact O-N 3.36Å
10	H	49.1	Very low	45	Very low	142 Å²	142	137.4 Å²	137.4	66%	0.657	74%	0.741	S	S	*	*			trans	-83	22.7	175.1	-151.4	-56.7	0	0	0	112.9	E13	H10-E13 IonicContact CE1-OE2 3.78Å
11	C	43.4	Very low	44.8	Very low	111 Å²	111	136.6 Å²	136.6	75%	0.75	74%	0.736	S	S	*	*			trans	-134.2	69.7	-169.7	-62.8	0	0	0	0	111.4	L9	L9-C11 PolarHBondContact O-N 3.36Å
12	L	41.2	Very low	45.1	Very low	175 Å²	175	134.2 Å²	134.2	92%	0.916	72%	0.72	S	S	*	*			trans	-168.5	68.8	152.9	-105.3	168.8	0	0	0	107.6
13	E	38.5	Very low	45.2	Very low	140 Å²	140	136.5 Å²	136.5	65%	0.654	73%	0.727	S	S	*	*			trans	-114.3	146.8	178.9	-172.6	165.3	-151	0	0	107.5	H10	H10-E13 IonicContact CE1-OE2 3.78Å
14	N	40.7	Very low	44.9	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	74%	0.738	S	S	*	*			trans	70.2	140.6	-159.2	-37.1	-60.4	0	0	0	111.7
15	D	42.1	Very low	44.8	Very low	138 Å²	138	143.9 Å²	143.9	74%	0.738	75%	0.746	S	S	*	*			cis	-142.9	150.3	40.6	-87.5	-41	0	0	0	116
16	H	47	Very low	44.6	Very low	173 Å²	173	145.2 Å²	145.2	80%	0.801	75%	0.749	S	S	*	*			trans	54.3	123.8	148.8	-76.6	-83.9	0	0	0	123.3
17	H	38.5	Very low	44.2	Very low	186 Å²	186	147.1 Å²	147.1	86%	0.861	75%	0.752	S	S	*	*			trans	-68.7	141.1	156.6	-67	-120.4	0	0	0	111.1
18	E	49.1	Very low	44	Very low	129 Å²	129	147.8 Å²	147.8	60%	0.603	75%	0.754	S	S	*	*			trans	-122.7	126.5	149.8	-85.4	-177.8	149.5	0	0	108.7	R765	E18-R765 IonicContact OE1-NH2 3.56Å; E18-R765 IonicContact OE2-CZ 2.67Å; E18-R765 IonicContact OE2-NH1 2.75Å; E18-R765 PolarHBondContact OE2-NH1 3.11Å; E18-R765 IonicContact OE2-NH2 3.83Å; E18-R765 PolarHBondContact OE2-NH2 3.26Å
19	Q	40.4	Very low	44.2	Very low	162 Å²	162	150.8 Å²	150.8	76%	0.757	76%	0.758	S	S	*	*			trans	-101.3	117.1	177	177.1	177.2	-22.5	0	0	107.6	D21	Q19-D21 WeakPolarHBondContact CG-OD2 3.32Å; Q19-D21 PolarHBondContact NE2-OD2 3.17Å
20	L	42.3	Very low	44.4	Very low	136 Å²	136	146.9 Å²	146.9	71%	0.712	74%	0.738	S	S	*	*			trans	-116	79.9	179.7	-70.3	174.2	0	0	0	109.7	F22	L20-F22 HydrophobicContact CB-CD2 4.45Å; L20-F22 HydrophobicContact CD2-CD2 4.09Å; L20-F22 HydrophobicContact CD2-CE2 3.84Å
21	D	41.3	Very low	44.6	Very low	121 Å²	121	143.9 Å²	143.9	65%	0.647	73%	0.731	S	S	*	*			trans	-76.2	118.3	158.5	-64.1	-63	0	0	0	107.7	Q19	Q19-D21 WeakPolarHBondContact CG-OD2 3.32Å; Q19-D21 PolarHBondContact NE2-OD2 3.17Å
22	F	43.3	Very low	45	Very low	167 Å²	167	146.7 Å²	146.7	73%	0.732	73%	0.726	S	S	*	*			trans	-147.9	102.5	174.9	-91.7	-75.6	0	0	0	112	L20	L20-F22 HydrophobicContact CB-CD2 4.45Å; L20-F22 HydrophobicContact CD2-CD2 4.09Å; L20-F22 HydrophobicContact CD2-CE2 3.84Å
23	E	45	Very low	45.5	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	71%	0.713	S	S	*	*			trans	52.7	138.3	144.1	-53.9	-56.2	96	0	0	122.5	E25	E23-E25 PolarHBondContact O-N 2.68Å
24	D	43.2	Very low	46.4	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	70%	0.704	S	S	*	*			trans	-76.7	97	173.3	-73	-62.5	0	0	0	112.8	N26	D24-N26 PolarHBondContact O-N 3.2Å
25	E	49	Very low	47.1	Very low	163 Å²	163	141.2 Å²	141.2	76%	0.762	70%	0.697	S	S	*	*			trans	-79.3	110.7	167.6	-75.4	-142.1	140	0	0	112.7	E23 F27	E23-E25 PolarHBondContact O-N 2.68Å; E25-F27 PolarHBondContact O-N 3.48Å; E25-F27 VanDerWaalsContact O-N 3.07Å
26	N	46.5	Very low	47.6	Very low	156 Å²	156	141 Å²	141	83%	0.834	70%	0.695	S	S	*	*			trans	-68.2	97	174.5	-79.7	-87.7	0	0	0	111.6	D24	D24-N26 PolarHBondContact O-N 3.2Å
27	F	46	Very low	47.9	Very low	181 Å²	181	138 Å²	138	79%	0.794	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-68.9	127.9	167.9	-80.4	-83.5	0	0	0	110.9	E25	E25-F27 PolarHBondContact O-N 3.48Å; E25-F27 VanDerWaalsContact O-N 3.07Å
28	P	48.6	Very low	48.7	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-69.5	143.3	-167.9	26.3	-35	0	0	0	113	N30	P28-N30 PolarHBondContact O-N 3.31Å
29	I	48.9	Very low	48.7	Very low	139 Å²	139	133.4 Å²	133.4	71%	0.713	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-58.4	126.4	169.4	-62.3	171.5	0	0	0	108.3
30	N	49	Very low	49.2	Very low	91 Å²	91	133.5 Å²	133.5	49%	0.487	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-63.2	133.5	-176.1	-73.7	-76	0	0	0	111	P28 W32 E33	P28-N30 PolarHBondContact O-N 3.31Å; N30-W32 HydrophobicContact CB-CD2 4.13Å; N30-W32 HydrophobicContact CB-CE3 3.52Å; N30-W32 HydrophobicContact CB-CH2 4.18Å; N30-W32 HydrophobicContact CB-CZ3 3.55Å; N30-W32 VanDerWaalsContact CG-CZ3 3.48Å; N30-W32 PolarHBondContact O-N 3.04Å; N30-W32 WeakPolarHBondContact OD1-CH2 2.87Å; N30-W32 WeakPolarHBondContact OD1-CZ3 3.05Å; N30-E33 PolarHBondContact O-N 3.04Å
31	P	52.2	Low	49.8	Very low	78 Å²	78	133.3 Å²	133.3	51%	0.506	67%	0.672	S	S	.	*	H	α-helix	trans	-66	-9.6	-168.6	25	-35.2	0	0	0	115.2	E33 T34 E35	P31-E33 VanDerWaalsContact C-N 3.3Å; P31-E33 PolarHBondContact O-N 2.99Å; P31-T34 WeakPolarHBondContact O-CB 3.24Å; P31-T34 PolarHBondContact O-N 3.03Å; P31-T34 PolarHBondContact O-OG1 2.98Å; P31-E35 PolarHBondContact O-N 3.26Å; P31-E35 VanDerWaalsContact O-N 3.1Å
32	W	52.1	Low	50	Low	170 Å²	170	134.9 Å²	134.9	64%	0.644	68%	0.681	S	S	*	*	H	α-helix	trans	-69.6	-23.9	180	-43.3	-50.1	0	0	0	113.6	N30	N30-W32 HydrophobicContact CB-CD2 4.13Å; N30-W32 HydrophobicContact CB-CE3 3.52Å; N30-W32 HydrophobicContact CB-CH2 4.18Å; N30-W32 HydrophobicContact CB-CZ3 3.55Å; N30-W32 VanDerWaalsContact CG-CZ3 3.48Å; N30-W32 PolarHBondContact O-N 3.04Å; N30-W32 WeakPolarHBondContact OD1-CH2 2.87Å; N30-W32 WeakPolarHBondContact OD1-CZ3 3.05Å
33	E	51.7	Low	50.1	Low	138 Å²	138	136.2 Å²	136.2	65%	0.645	69%	0.686	S	S	*	*	H	α-helix	trans	-77.9	-31.9	171.5	-61.3	-161.8	157.5	0	0	111.1	N30 P31 L36 L37	N30-E33 PolarHBondContact O-N 3.04Å; P31-E33 VanDerWaalsContact C-N 3.3Å; P31-E33 PolarHBondContact O-N 2.99Å; E33-L36 PolarHBondContact O-N 2.8Å; E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 2.74Å
34	T	57.2	Low	50.1	Low	75 Å²	75	139.7 Å²	139.7	46%	0.46	69%	0.692	S	S	.	*	H	α-helix	trans	-68	-43.9	176.4	-23.1	0	0	0	0	112	P31 L36 L37 S38	P31-T34 WeakPolarHBondContact O-CB 3.24Å; P31-T34 PolarHBondContact O-N 3.03Å; P31-T34 PolarHBondContact O-OG1 2.98Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.83Å; T34-L37 PolarHBondContact O-N 3Å; T34-S38 PolarHBondContact O-N 2.98Å; T34-S38 PolarHBondContact O-OG 3.09Å
35	E	56.2	Low	49.9	Very low	125 Å²	125	141.1 Å²	141.1	58%	0.584	69%	0.693	S	S	*	*	H	α-helix	trans	-58	-40	175.8	-72.8	-170.8	137.6	0	0	112.6	P31 L37 S38 L39	P31-E35 PolarHBondContact O-N 3.26Å; P31-E35 VanDerWaalsContact O-N 3.1Å; E35-L37 PolarHBondContact O-N 3.21Å; E35-S38 PolarHBondContact O-N 2.73Å; E35-L39 VanDerWaalsContact O-CD1 3.31Å; E35-L39 WeakPolarHBondContact O-CD1 3.05Å; E35-L39 PolarHBondContact O-N 2.89Å
36	L	52.3	Low	49.5	Very low	135 Å²	135	143.5 Å²	143.5	71%	0.707	70%	0.697	S	S	*	*	H	α-helix	trans	-72	-14	178.4	-75.9	171.3	0	0	0	114	E33 T34	E33-L36 PolarHBondContact O-N 2.8Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.83Å
37	L	53.5	Low	49.2	Very low	110 Å²	110	144.8 Å²	144.8	58%	0.576	70%	0.698	S	S	*	*	H	α-helix	trans	-91.9	-43.5	169.6	-68	167.7	0	0	0	110.8	E33 T34 E35 L39 K40	E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 2.74Å; T34-L37 PolarHBondContact O-N 3Å; E35-L37 PolarHBondContact O-N 3.21Å; L37-L39 PolarHBondContact O-N 2.82Å; L37-K40 WeakPolarHBondContact O-CA 2.96Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.24Å
38	S	54.9	Low	48.9	Very low	67 Å²	67	144.6 Å²	144.6	47%	0.469	70%	0.699	S	S	.	*	H	α-helix	trans	-61.9	-39.9	178.2	-61.3	0	0	0	0	113.3	T34 E35 K40 N41	T34-S38 PolarHBondContact O-N 2.98Å; T34-S38 PolarHBondContact O-OG 3.09Å; E35-S38 PolarHBondContact O-N 2.73Å; S38-K40 PolarHBondContact O-N 3.35Å; S38-N41 PolarHBondContact O-N 2.84Å
39	L	49.9	Very low	48.5	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	70%	0.703	S	S	*	*	H	α-helix	trans	-64.6	-7.1	173.3	-95.9	82	0	0	0	114	E35 L37	E35-L39 VanDerWaalsContact O-CD1 3.31Å; E35-L39 WeakPolarHBondContact O-CD1 3.05Å; E35-L39 PolarHBondContact O-N 2.89Å; L37-L39 PolarHBondContact O-N 2.82Å
40	K	51.2	Low	48	Very low	163 Å²	163	143.8 Å²	143.8	71%	0.709	71%	0.709	S	S	*	*	H	α-helix	trans	-98.8	-19.6	-176	-143.3	175.3	-176.9	-175.8	0	113.6	L37 S38	L37-K40 WeakPolarHBondContact O-CA 2.96Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.24Å; S38-K40 PolarHBondContact O-N 3.35Å
41	N	53.1	Low	47.5	Very low	133 Å²	133	143.6 Å²	143.6	71%	0.711	72%	0.719	S	S	*	*	H	α-helix	trans	-105.4	-29.3	-173.5	-67	6.8	0	0	0	113.2	S38 K43	S38-N41 PolarHBondContact O-N 2.84Å; N41-K43 VanDerWaalsContact C-N 3.31Å; N41-K43 PolarHBondContact O-N 3.01Å
42	N	46.5	Very low	46.6	Very low	154 Å²	154	145.3 Å²	145.3	82%	0.824	73%	0.733	S	S	*	*			trans	-76.7	77.2	178.5	-78.3	2.4	0	0	0	112
43	K	45.9	Very low	46	Very low	194 Å²	194	142.7 Å²	142.7	84%	0.843	74%	0.741	S	S	*	*			trans	-146.7	38.2	178.5	-134.9	-174.9	-175.3	-166.9	0	116.8	N41	N41-K43 VanDerWaalsContact C-N 3.31Å; N41-K43 PolarHBondContact O-N 3.01Å
44	R	43.3	Very low	45.3	Very low	244 Å²	244	141.6 Å²	141.6	92%	0.921	75%	0.749	S	S	*	*			trans	-153.4	105.7	160.1	-98.3	177.2	-178.1	168.7	-2.4	109.7
45	E	41	Very low	44.4	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.874	76%	0.763	S	S	*	*				-176.6	147.7	121.9	-100.6	178.6	164.6	0	0	109.2
46	Y	39.6	Very low	43.7	Very low	214 Å²	214	141.1 Å²	141.1	84%	0.839	76%	0.762	S	S	*	*			trans	-122.5	131.1	173.8	-100.4	-100.5	0	0	0	106.9
47	H	39.3	Very low	43.3	Very low	183 Å²	183	142.9 Å²	142.9	85%	0.847	77%	0.767	S	S	*	*			trans	-138.5	114.4	157	-100.7	-75.1	0	0	0	109
48	E	39.7	Very low	42.6	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	77%	0.771	S	S	*	*			trans	-80.2	127.8	170.9	-64	179.7	114.9	0	0	109.4
49	S	40.6	Very low	42.1	Very low	113 Å²	113	144 Å²	144	79%	0.79	78%	0.783	S	S	*	*			trans	-162.9	94.6	157.6	-83.7	0	0	0	0	111
50	S	39.2	Very low	41.7	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	78%	0.783	S	S	*	*			trans	40.7	138.2	132.1	-55.4	0	0	0	0	122.9
51	A	37.5	Very low	41.3	Very low	86 Å²	86	142.4 Å²	142.4	71%	0.711	79%	0.787	S	S	*	*			trans	88.5	96.1	139.4	0	0	0	0	0	121
52	S	33.6	Very low	40.7	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	79%	0.789	S	S	*	*				62.5	105.5	111.7	-53.6	0	0	0	0	121.5
53	S	39.3	Very low	40.9	Very low	114 Å²	114	138.6 Å²	138.6	80%	0.797	78%	0.781	S	S	*	*			trans	-159.1	108.9	138.6	-73.2	0	0	0	0	106.5
54	S	38.6	Very low	41.1	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	78%	0.78	S	S	*	*				43.2	129	69	73.1	0	0	0	0	113.6
55	S	38.3	Very low	41.4	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	77%	0.771	S	S	*	*			cis	-140.5	-170.5	15.4	70.2	0	0	0	0	111.1
56	S	41	Very low	41.8	Very low	79 Å²	79	134.5 Å²	134.5	55%	0.552	77%	0.772	S	S	*	*			cis	-159	150.4	11.8	-125.9	0	0	0	0	112
57	E	42.9	Very low	42.2	Very low	173 Å²	173	128 Å²	128	81%	0.808	77%	0.77	S	S	*	*			trans	56.9	144.4	140.4	-69.4	159.4	124.2	0	0	121.3
58	S	39.9	Very low	42.6	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	76%	0.76	S	S	*	*			cis	-166.4	147	-4.9	51.1	0	0	0	0	111.8
59	S	44	Very low	43.1	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	76%	0.761	S	S	*	*			trans	64.9	157.7	153.6	-64.6	0	0	0	0	118.7
60	E	41.6	Very low	43.3	Very low	166 Å²	166	129 Å²	129	78%	0.776	76%	0.757	S	S	*	*			cis	-158	134	-2.5	-130.8	165.4	102.9	0	0	112.6
61	S	42.4	Very low	43.3	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	76%	0.757	S	S	*	*			trans	62.1	162.5	152.8	85.1	0	0	0	0	119.1
62	S	40.6	Very low	43.6	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	76%	0.756	S	S	*	*			cis	-144.9	165.1	-5.6	70.6	0	0	0	0	110.4
63	P	51.3	Low	44.3	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	75%	0.752	S	S	*	*			trans	-122.5	-149.6	-156.5	43.8	-30.4	0	0	0	115.4
64	Y	49	Very low	44.8	Very low	209 Å²	209	133.4 Å²	133.4	82%	0.82	75%	0.753	S	S	*	*			trans	88.4	139.1	174	-60.2	-80.3	0	0	0	117.5
65	D	50.7	Low	45.5	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	75%	0.745	S	S	*	*			cis	-167.7	156	-24.5	-157.6	1.1	0	0	0	109.3
66	E	48.2	Very low	46.1	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	74%	0.743	S	S	*	*			trans	-127.2	125.7	169.7	-75.4	-161	-173.9	0	0	111.6
67	G	49.2	Very low	46.2	Very low	77 Å²	77	139.1 Å²	139.1	79%	0.794	75%	0.753	S	S	*	*			trans	-140	120.7	-171.9	0	0	0	0	0	114
68	E	46.2	Very low	46.5	Very low	139 Å²	139	134.5 Å²	134.5	65%	0.65	74%	0.74	S	S	*	*			trans	-36.5	158.3	-180	-49.5	-175.2	160.2	0	0	119.6	R70	E68-R70 VanDerWaalsContact CD-NH1 3.29Å; E68-R70 IonicContact OE1-NH1 3.48Å; E68-R70 PolarHBondContact OE1-NH1 3.39Å; E68-R70 IonicContact OE2-CZ 2.85Å; E68-R70 IonicContact OE2-NH1 3.26Å; E68-R70 PolarHBondContact OE2-NH1 2.77Å
69	M	50.8	Low	47	Very low	170 Å²	170	137.6 Å²	137.6	84%	0.837	74%	0.742	S	S	*	*				175.2	121.1	110.2	-80.3	-123.2	-77.5	0	0	109
70	R	44.1	Very low	47.2	Very low	185 Å²	185	137.3 Å²	137.3	70%	0.698	73%	0.732	S	S	*	*				85.4	152.5	59.7	-85.2	-174.9	147.8	126.6	-2.1	113.9	E68	E68-R70 VanDerWaalsContact CD-NH1 3.29Å; E68-R70 IonicContact OE1-NH1 3.48Å; E68-R70 PolarHBondContact OE1-NH1 3.39Å; E68-R70 IonicContact OE2-CZ 2.85Å; E68-R70 IonicContact OE2-NH1 3.26Å; E68-R70 PolarHBondContact OE2-NH1 2.77Å
71	S	41	Very low	47.8	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	73%	0.726	S	S	*	*			trans	70.4	140.4	-174.9	65.3	0	0	0	0	116.4
72	S	42.7	Very low	47.9	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	72%	0.721	S	S	*	*			cis	-163.9	-170.8	-16.1	53.8	0	0	0	0	110.8
73	D	48.3	Very low	48	Very low	135 Å²	135	137 Å²	137	72%	0.722	72%	0.716	S	S	*	*			trans	87.5	109.8	165.5	-59.3	26.2	0	0	0	115.3
74	E	50.7	Low	48	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	71%	0.714	S	S	*	*				86.7	145.7	52.8	-68.3	-101	164.8	0	0	111.8
75	S	52.2	Low	48.1	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	70%	0.696	S	S	*	*			cis	-173.4	149.5	-25.9	48.9	0	0	0	0	106.7
76	E	51.3	Low	48	Very low	154 Å²	154	130.2 Å²	130.2	72%	0.72	69%	0.689	S	S	*	*			cis	-159.6	-161.8	-13.5	-139.4	-65	88.5	0	0	106.9
77	F	43.8	Very low	48	Very low	177 Å²	177	122.1 Å²	122.1	78%	0.776	66%	0.656	S	S	*	*			trans	84.6	142.8	162.5	-61.6	-95.2	0	0	0	118.8
78	S	48.1	Very low	48.1	Very low	76 Å²	76	125.2 Å²	125.2	53%	0.531	65%	0.649	S	S	.	*			cis	-178.3	156.1	-23	60.1	0	0	0	0	110.2
79	K	50.6	Low	47.9	Very low	162 Å²	162	125 Å²	125	70%	0.704	66%	0.657	S	S	*	*			trans	64.3	158.4	143.4	-74.9	-178.4	147.1	-70.7	0	117.9
80	D	48.6	Very low	47.2	Very low	96 Å²	96	123.9 Å²	123.9	51%	0.513	65%	0.65	S	S	.	*			cis	-150.7	151.6	-5.1	-111.6	-22.1	0	0	0	109.4
81	E	54.3	Low	47.2	Very low	141 Å²	141	120.5 Å²	120.5	66%	0.659	66%	0.655	S	S	*	*			trans	48	146.7	131.6	-59.3	-174.4	132	0	0	121.9
82	Q	44.5	Very low	47.3	Very low	148 Å²	148	123.3 Å²	123.3	69%	0.692	65%	0.654	S	S	*	*			cis	-160.7	170.1	3.9	-125.1	168.1	37	0	0	111.6
83	S	42	Very low	47.7	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	66%	0.658	S	S	*	*			trans	27	126.4	150.2	-80	0	0	0	0	121.9
84	S	51.6	Low	47.6	Very low	85 Å²	85	125.5 Å²	125.5	59%	0.594	66%	0.657	S	S	*	*				82.3	163.9	61.2	89.2	0	0	0	0	113.9
85	E	51.4	Low	47.7	Very low	95 Å²	95	126.9 Å²	126.9	44%	0.444	66%	0.663	S	S	.	*			cis	-135.5	-137.7	-2.6	-144.3	118.2	-174.7	0	0	108.2	V439 K440	E85-V439 VanDerWaalsContact C-CG2 3.42Å; E85-V439 WeakPolarHBondContact O-CG2 3.39Å; E85-K440 VanDerWaalsContact OE1-CE 3.24Å; E85-K440 WeakPolarHBondContact OE1-CE 3.31Å; E85-K440 IonicContact OE1-NZ 3.03Å; E85-K440 PolarHBondContact OE1-NZ 2.93Å
86	E	47.5	Very low	47.5	Very low	126 Å²	126	129.5 Å²	129.5	59%	0.589	67%	0.669	S	S	*	*			cis	-164.8	158.2	-2.5	-140.3	-56.4	79.4	0	0	108.1	S437 G438	E86-S437 CarbonylContact O-C 3.54Å; E86-S437 VanDerWaalsContact O-CA 3.24Å; E86-S437 WeakPolarHBondContact O-CA 3.44Å; E86-S437 WeakPolarHBondContact O-CB 3.37Å; E86-G438 CarbonylContact C-O 3.06Å; E86-G438 CarbonylContact O-C 3.51Å; E86-G438 WeakPolarHBondContact O-CA 3.47Å; E86-G438 PolarHBondContact O-N 3.37Å
87	G	49.7	Very low	47.2	Very low	19 Å²	19	132 Å²	132	20%	0.196	68%	0.68	C	S	.	*	B	Isolated β-bridge	trans	87.5	63.7	136	0	0	0	0	0	124.6	S437 G438	G87-S437 CarbonylContact O-C 3.57Å; G87-S437 WeakPolarHBondContact O-CB 3.34Å; G87-S437 PolarHBondContact O-OG 2.8Å; G87-G438 PolarHBondContact N-O 3.3Å; G87-G438 VanDerWaalsContact N-O 3.11Å; G87-G438 PolarHBondContact O-N 3.09Å
88	E	50	Low	47.4	Very low	142 Å²	142	125.8 Å²	125.8	66%	0.664	67%	0.666	S	S	*	*			trans	-43.3	156.7	173.9	-51.6	179.8	111.1	0	0	118.5	G438	E88-G438 VanDerWaalsContact N-N 3.19Å; E88-G438 PolarHBondContact N-O 3.14Å
89	V	43.8	Very low	47.1	Very low	135 Å²	135	128.7 Å²	128.7	82%	0.818	68%	0.681	S	S	*	*			trans	-140.5	136	152.4	-164.5	0	0	0	0	111.2
90	Q	35.9	Very low	46.6	Very low	146 Å²	146	125.3 Å²	125.3	68%	0.682	68%	0.683	S	S	*	*			trans	-103.6	154.8	-173.7	-65.2	173	-17.5	0	0	114.4
91	S	42.3	Very low	46.3	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	70%	0.696	S	S	*	*			trans	-171.9	114.4	150.8	15.2	0	0	0	0	104.8
92	E	44	Very low	46	Very low	180 Å²	180	127.2 Å²	127.2	84%	0.841	70%	0.702	S	S	*	*			cis	52.1	87.3	37.1	-165.4	166.4	-130.8	0	0	111.8
93	I	50.3	Low	46.3	Very low	148 Å²	148	126.2 Å²	126.2	76%	0.759	71%	0.706	S	S	*	*			trans	-149	127.7	143.5	-162.2	158	0	0	0	110.4
94	D	47.9	Very low	46.5	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	71%	0.709	S	S	*	*			trans	38.5	118.9	156.9	-54.8	-16.8	0	0	0	121.6	I96	D94-I96 PolarHBondContact O-N 2.87Å
95	E	51	Low	46.7	Very low	202 Å²	202	131.7 Å²	131.7	94%	0.944	72%	0.717	S	S	*	*			trans	-63	113.4	151.4	-59.5	-177.9	138.3	0	0	109.8
96	I	48.5	Very low	47.6	Very low	148 Å²	148	134.7 Å²	134.7	76%	0.759	73%	0.729	S	S	*	*			trans	-101.3	100.4	163.8	-61.5	-179.5	0	0	0	107.9	D94 G98	D94-I96 PolarHBondContact O-N 2.87Å; I96-G98 PolarHBondContact O-N 2.85Å
97	E	45.3	Very low	48.8	Very low	207 Å²	207	135.5 Å²	135.5	97%	0.967	74%	0.737	S	S	*	*			trans	-71.1	71.9	169.3	-168.3	172.1	-143.5	0	0	109.8
98	G	48.2	Very low	50.2	Low	46 Å²	46	138 Å²	138	47%	0.474	74%	0.744	S	S	.	*			trans	-121.1	100.7	-167	0	0	0	0	0	113.5	I96	I96-G98 PolarHBondContact O-N 2.85Å
99	T	42.5	Very low	51.9	Low	138 Å²	138	134.1 Å²	134.1	85%	0.847	73%	0.73	S	S	*	*			trans	40.5	120.6	151.3	57.6	0	0	0	0	120.1
100	A	40.3	Very low	53.7	Low	91 Å²	91	133.7 Å²	133.7	75%	0.752	73%	0.729	S	S	*	*	S	Bend	trans	-7.7	148.2	153.6	0	0	0	0	0	121
101	D	41.9	Very low	56	Low	145 Å²	145	136 Å²	136	78%	0.775	73%	0.732	S	S	*	*			trans	73.9	159.5	170.7	-72.3	-42.3	0	0	0	118	V103	D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.79Å
102	V	47.7	Very low	58.3	Low	132 Å²	132	133.6 Å²	133.6	80%	0.8	71%	0.708	S	S	*	*			trans	58.7	25.3	-175	-147.5	0	0	0	0	116	V104	V102-V104 PolarHBondContact O-N 2.9Å
103	V	50.5	Low	60.4	Low	126 Å²	126	131.9 Å²	131.9	76%	0.764	69%	0.694	S	S	*	*			trans	-56.9	110.4	138.9	174.7	0	0	0	0	106.1	D101 K105	D101-V103 VanDerWaalsContact C-N 3.27Å; D101-V103 PolarHBondContact O-N 2.79Å; V103-K105 PolarHBondContact O-N 2.64Å
104	V	46.5	Very low	62.3	Low	119 Å²	119	126.6 Å²	126.6	72%	0.721	68%	0.676	S	S	*	*			trans	-55.5	107.7	175.8	175.1	0	0	0	0	107.1	V102 K106	V102-V104 PolarHBondContact O-N 2.9Å; V104-K106 PolarHBondContact O-N 3.03Å
105	K	55.4	Low	64.2	Low	176 Å²	176	123.9 Å²	123.9	77%	0.765	66%	0.661	S	S	*	*			trans	-65.4	88.2	171.2	-71.7	176.4	-176.8	166.5	0	106.2	V103 D107	V103-K105 PolarHBondContact O-N 2.64Å; K105-D107 PolarHBondContact O-N 2.86Å
106	K	71.3	Confident	66.1	Low	158 Å²	158	119.7 Å²	119.7	69%	0.687	64%	0.637	S	S	*	*			trans	-60.4	93.5	171.3	178.9	-178.3	172.1	-170.9	0	105.6	V104 E108 E112	V104-K106 PolarHBondContact O-N 3.03Å; K106-E108 PolarHBondContact O-N 2.8Å; K106-E112 WeakPolarHBondContact CE-OE1 3.43Å; K106-E112 IonicContact NZ-OE1 3.42Å; K106-E112 PolarHBondContact NZ-OE1 3.37Å
107	D	72.1	Confident	68.2	Low	143 Å²	143	115 Å²	115	77%	0.765	61%	0.613	S	S	*	*			trans	-50.7	107.6	-166.5	-92.6	-38.5	0	0	0	109.2	K105 T109	K105-D107 PolarHBondContact O-N 2.86Å; D107-T109 PolarHBondContact O-N 3.06Å
108	E	79.5	Confident	70.2	Confident	71 Å²	71	107.7 Å²	107.7	33%	0.332	59%	0.588	S	S	.	*			trans	-58.8	104	-168.6	-173.3	-170.6	-150.3	0	0	107.9	K106 E112 R113 R116	K106-E108 PolarHBondContact O-N 2.8Å; E108-E112 HydrophobicContact CG-CB 3.94Å; E108-R113 VanDerWaalsContact CD-CA 3.42Å; E108-R113 VanDerWaalsContact CD-CB 3.48Å; E108-R113 HydrophobicContact CG-CB 3.8Å; E108-R113 WeakPolarHBondContact OE1-CA 3.43Å; E108-R113 WeakPolarHBondContact OE2-CB 3.43Å; E108-R113 WeakPolarHBondContact OE2-CD 3.2Å; E108-R113 VanDerWaalsContact OE2-CG 3.27Å; E108-R113 WeakPolarHBondContact OE2-CG 3.17Å; E108-R116 IonicContact OE1-CZ 3.17Å; E108-R116 IonicContact OE1-NE 3.43Å; E108-R116 PolarHBondContact OE1-NE 2.89Å; E108-R116 IonicContact OE1-NH2 3.35Å; E108-R116 PolarHBondContact OE1-NH2 2.76Å; E108-R116 IonicContact OE2-CZ 3.73Å; E108-R116 IonicContact OE2-NE 3.67Å; E108-R116 IonicContact OE2-NH2 2.68Å; E108-R116 PolarHBondContact OE2-NH2 2.85Å
109	T	85.2	Confident	72.3	Confident	61 Å²	61	113.3 Å²	113.3	37%	0.374	60%	0.595	S	S	.	*			trans	-59.6	151.5	-168.7	56	0	0	0	0	108.9	D107 W111 E112 R113	D107-T109 PolarHBondContact O-N 3.06Å; T109-W111 CarbonylContact O-C 3.5Å; T109-W111 PolarHBondContact O-N 2.82Å; T109-E112 VanDerWaalsContact CB-OE2 3.31Å; T109-E112 WeakPolarHBondContact CB-OE2 3.32Å; T109-E112 VanDerWaalsContact CG2-OE2 3.26Å; T109-E112 WeakPolarHBondContact CG2-OE2 3.44Å; T109-E112 PolarHBondContact N-OE2 2.81Å; T109-E112 PolarHBondContact O-N 2.83Å; T109-E112 WeakPolarHBondContact OG1-CB 3.19Å; T109-E112 WeakPolarHBondContact OG1-CG 3.31Å; T109-E112 PolarHBondContact OG1-N 3.12Å; T109-E112 PolarHBondContact OG1-OE2 3.46Å; T109-R113 WeakPolarHBondContact O-CB 3.42Å; T109-R113 PolarHBondContact O-N 2.94Å
110	P	81.9	Confident	74.6	Confident	125 Å²	125	109.4 Å²	109.4	81%	0.812	57%	0.567	S	S	*	*	H	α-helix	trans	-53	-22	176	-28.4	36.1	0	0	0	113.3	G114	P110-G114 PolarHBondContact O-N 3.42Å; P110-G114 VanDerWaalsContact O-N 3.16Å
111	W	84.6	Confident	77	Confident	195 Å²	195	113 Å²	113	74%	0.739	56%	0.561	S	S	*	*	H	α-helix	trans	-76.1	-53.6	169.6	-176.4	-105.9	0	0	0	114	T109 R113 G114 L115	T109-W111 CarbonylContact O-C 3.5Å; T109-W111 PolarHBondContact O-N 2.82Å; W111-R113 VanDerWaalsContact C-N 3.34Å; W111-R113 PolarHBondContact O-N 2.83Å; W111-G114 CarbonylContact O-C 3.59Å; W111-G114 WeakPolarHBondContact O-CA 3.47Å; W111-G114 PolarHBondContact O-N 3.11Å; W111-G114 VanDerWaalsContact O-N 3.11Å; W111-L115 HydrophobicContact CZ2-CD1 4.48Å; W111-L115 PolarHBondContact O-N 3.45Å
112	E	89.8	Confident	79.4	Confident	63 Å²	63	110.9 Å²	110.9	29%	0.294	55%	0.549	S	S	.	.	H	α-helix	trans	-59.4	-43.3	175.7	-74.6	158.3	135.4	0	0	111.5	K106 E108 T109 G114 L115 R116	K106-E112 WeakPolarHBondContact CE-OE1 3.43Å; K106-E112 IonicContact NZ-OE1 3.42Å; K106-E112 PolarHBondContact NZ-OE1 3.37Å; E108-E112 HydrophobicContact CG-CB 3.94Å; T109-E112 VanDerWaalsContact CB-OE2 3.31Å; T109-E112 WeakPolarHBondContact CB-OE2 3.32Å; T109-E112 VanDerWaalsContact CG2-OE2 3.26Å; T109-E112 WeakPolarHBondContact CG2-OE2 3.44Å; T109-E112 PolarHBondContact N-OE2 2.81Å; T109-E112 PolarHBondContact O-N 2.83Å; T109-E112 WeakPolarHBondContact OG1-CB 3.19Å; T109-E112 WeakPolarHBondContact OG1-CG 3.31Å; T109-E112 PolarHBondContact OG1-N 3.12Å; T109-E112 PolarHBondContact OG1-OE2 3.46Å; E112-G114 VanDerWaalsContact C-N 3.31Å; E112-G114 PolarHBondContact O-N 2.87Å; E112-L115 WeakPolarHBondContact O-CB 3.26Å; E112-L115 PolarHBondContact O-N 3.38Å; E112-L115 VanDerWaalsContact O-N 3.12Å; E112-R116 PolarHBondContact O-N 2.75Å
113	R	87.8	Confident	81.3	Confident	145 Å²	145	110.3 Å²	110.3	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-38	173.6	-171.1	163.7	176.6	165.4	1.5	112	E108 T109 W111 L117	E108-R113 VanDerWaalsContact CD-CA 3.42Å; E108-R113 VanDerWaalsContact CD-CB 3.48Å; E108-R113 HydrophobicContact CG-CB 3.8Å; E108-R113 WeakPolarHBondContact OE1-CA 3.43Å; E108-R113 WeakPolarHBondContact OE2-CB 3.43Å; E108-R113 WeakPolarHBondContact OE2-CD 3.2Å; E108-R113 VanDerWaalsContact OE2-CG 3.27Å; E108-R113 WeakPolarHBondContact OE2-CG 3.17Å; T109-R113 WeakPolarHBondContact O-CB 3.42Å; T109-R113 PolarHBondContact O-N 2.94Å; W111-R113 VanDerWaalsContact C-N 3.34Å; W111-R113 PolarHBondContact O-N 2.83Å; R113-L117 HydrophobicContact CG-CD1 4Å; R113-L117 VanDerWaalsContact O-CB 3.29Å; R113-L117 WeakPolarHBondContact O-CB 3.31Å; R113-L117 WeakPolarHBondContact O-CD1 3.25Å; R113-L117 WeakPolarHBondContact O-CG 3.42Å; R113-L117 PolarHBondContact O-N 3.41Å
114	G	89.9	Confident	83.2	Confident	37 Å²	37	111.3 Å²	111.3	38%	0.381	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-44.4	171.5	0	0	0	0	0	112.4	P110 W111 E112 A118	P110-G114 PolarHBondContact O-N 3.42Å; P110-G114 VanDerWaalsContact O-N 3.16Å; W111-G114 CarbonylContact O-C 3.59Å; W111-G114 WeakPolarHBondContact O-CA 3.47Å; W111-G114 PolarHBondContact O-N 3.11Å; W111-G114 VanDerWaalsContact O-N 3.11Å; E112-G114 VanDerWaalsContact C-N 3.31Å; E112-G114 PolarHBondContact O-N 2.87Å; G114-A118 WeakPolarHBondContact O-CB 3.04Å; G114-A118 PolarHBondContact O-N 3.41Å
115	L	88.2	Confident	85.1	Confident	73 Å²	73	108 Å²	108	38%	0.382	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-44.7	177.5	-87.3	165.3	0	0	0	112.7	W111 E112 A118 R119	W111-L115 HydrophobicContact CZ2-CD1 4.48Å; W111-L115 PolarHBondContact O-N 3.45Å; E112-L115 WeakPolarHBondContact O-CB 3.26Å; E112-L115 PolarHBondContact O-N 3.38Å; E112-L115 VanDerWaalsContact O-N 3.12Å; L115-A118 PolarHBondContact O-N 2.92Å; L115-R119 WeakPolarHBondContact O-CG 3.06Å; L115-R119 PolarHBondContact O-N 2.82Å
116	R	91.8	Very high	86.8	Confident	114 Å²	114	106.2 Å²	106.2	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-50.6	175.9	-177.3	174.2	56.6	86.7	-5.2	110.9	E108 E112 A118 R119 E120	E108-R116 IonicContact OE1-CZ 3.17Å; E108-R116 IonicContact OE1-NE 3.43Å; E108-R116 PolarHBondContact OE1-NE 2.89Å; E108-R116 IonicContact OE1-NH2 3.35Å; E108-R116 PolarHBondContact OE1-NH2 2.76Å; E108-R116 IonicContact OE2-CZ 3.73Å; E108-R116 IonicContact OE2-NE 3.67Å; E108-R116 IonicContact OE2-NH2 2.68Å; E108-R116 PolarHBondContact OE2-NH2 2.85Å; E112-R116 PolarHBondContact O-N 2.75Å; R116-A118 PolarHBondContact O-N 3.11Å; R116-R119 PolarHBondContact O-N 3.24Å; R116-R119 VanDerWaalsContact O-N 3.16Å; R116-E120 IonicContact NH1-OE2 2.77Å; R116-E120 WeakPolarHBondContact O-CB 2.85Å; R116-E120 PolarHBondContact O-N 3.41Å
117	L	92.3	Very high	87.6	Confident	51 Å²	51	101.3 Å²	101.3	27%	0.267	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-26.6	175.9	-69	170.8	0	0	0	112.7	R113 R121	R113-L117 HydrophobicContact CG-CD1 4Å; R113-L117 VanDerWaalsContact O-CB 3.29Å; R113-L117 WeakPolarHBondContact O-CB 3.31Å; R113-L117 WeakPolarHBondContact O-CD1 3.25Å; R113-L117 WeakPolarHBondContact O-CG 3.42Å; R113-L117 PolarHBondContact O-N 3.41Å; L117-R121 VanDerWaalsContact O-CB 3.27Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 VanDerWaalsContact O-CD 3.31Å; L117-R121 WeakPolarHBondContact O-CD 3.46Å; L117-R121 WeakPolarHBondContact O-CG 3.13Å; L117-R121 PolarHBondContact O-N 2.95Å; L117-R121 VanDerWaalsContact O-N 3.1Å
118	A	87.6	Confident	88.4	Confident	53 Å²	53	100.2 Å²	100.2	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-74.5	-41.1	173.5	0	0	0	0	0	112.5	G114 L115 R116 R121 L122	G114-A118 WeakPolarHBondContact O-CB 3.04Å; G114-A118 PolarHBondContact O-N 3.41Å; L115-A118 PolarHBondContact O-N 2.92Å; R116-A118 PolarHBondContact O-N 3.11Å; A118-R121 PolarHBondContact O-N 3.04Å; A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 3.5Å
119	R	92.3	Very high	88.7	Confident	163 Å²	163	103.8 Å²	103.8	62%	0.615	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-49.5	172.8	-71.2	174.7	179.9	170.3	-1	111.1	L115 R116 R121 L122 E123	L115-R119 WeakPolarHBondContact O-CG 3.06Å; L115-R119 PolarHBondContact O-N 2.82Å; R116-R119 PolarHBondContact O-N 3.24Å; R116-R119 VanDerWaalsContact O-N 3.16Å; R119-R121 VanDerWaalsContact C-N 3.29Å; R119-R121 PolarHBondContact O-N 3.04Å; R119-L122 CarbonylContact O-C 3.6Å; R119-L122 WeakPolarHBondContact O-CA 3.22Å; R119-L122 WeakPolarHBondContact O-CB 3.37Å; R119-L122 PolarHBondContact O-N 3.45Å; R119-E123 PolarHBondContact O-N 2.87Å
120	E	89.1	Confident	88.7	Confident	56 Å²	56	103.8 Å²	103.8	26%	0.262	51%	0.508	S	S	.	.	H	α-helix	trans	-57.6	-38.9	176.8	-166.9	-166.6	137.9	0	0	112.2	R116 R124	R116-E120 IonicContact NH1-OE2 2.77Å; R116-E120 WeakPolarHBondContact O-CB 2.85Å; R116-E120 PolarHBondContact O-N 3.41Å; E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.37Å; E120-R124 IonicContact OE1-CZ 3.89Å; E120-R124 IonicContact OE1-NH1 2.64Å; E120-R124 PolarHBondContact OE1-NH1 2.97Å; E120-R124 IonicContact OE1-NH2 3.08Å; E120-R124 PolarHBondContact OE1-NH2 3.43Å
121	R	92.6	Very high	88.8	Confident	168 Å²	168	104.5 Å²	104.5	63%	0.634	50%	0.498	S	S	*	.	H	α-helix	trans	-71.3	-36.5	172.9	-77.2	169.9	178.3	145.3	-0.9	113.1	L117 A118 R119 A125	L117-R121 VanDerWaalsContact O-CB 3.27Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 VanDerWaalsContact O-CD 3.31Å; L117-R121 WeakPolarHBondContact O-CD 3.46Å; L117-R121 WeakPolarHBondContact O-CG 3.13Å; L117-R121 PolarHBondContact O-N 2.95Å; L117-R121 VanDerWaalsContact O-N 3.1Å; A118-R121 PolarHBondContact O-N 3.04Å; R119-R121 VanDerWaalsContact C-N 3.29Å; R119-R121 PolarHBondContact O-N 3.04Å; R121-A125 VanDerWaalsContact O-CB 3.25Å; R121-A125 WeakPolarHBondContact O-CB 3.38Å; R121-A125 PolarHBondContact O-N 3.38Å
122	L	90.6	Very high	88.7	Confident	100 Å²	100	101.2 Å²	101.2	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-39.9	175.2	178.5	61.8	0	0	0	111.3	A118 R119 A125 K126	A118-L122 WeakPolarHBondContact O-CB 3.48Å; A118-L122 PolarHBondContact O-N 3.5Å; R119-L122 CarbonylContact O-C 3.6Å; R119-L122 WeakPolarHBondContact O-CA 3.22Å; R119-L122 WeakPolarHBondContact O-CB 3.37Å; R119-L122 PolarHBondContact O-N 3.45Å; L122-A125 PolarHBondContact O-N 2.77Å; L122-K126 WeakPolarHBondContact O-CG 3.35Å; L122-K126 PolarHBondContact O-N 2.69Å
123	E	88.6	Confident	88.4	Confident	120 Å²	120	105.9 Å²	105.9	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-66.8	-47.9	175.8	-75.6	153.4	-161.7	0	0	111.4	R119 A125 K126 A127	R119-E123 PolarHBondContact O-N 2.87Å; E123-A125 VanDerWaalsContact C-N 3.27Å; E123-A125 PolarHBondContact O-N 3.2Å; E123-K126 PolarHBondContact O-N 2.99Å; E123-K126 VanDerWaalsContact O-N 3.17Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.01Å
124	R	89.6	Confident	88	Confident	146 Å²	146	102 Å²	102	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-58.3	-38.5	171	-72	-163.5	-170.3	96.9	1.8	112.3	E120 A127 L128	E120-R124 WeakPolarHBondContact O-CG 3.37Å; E120-R124 PolarHBondContact O-N 3.37Å; E120-R124 IonicContact OE1-CZ 3.89Å; E120-R124 IonicContact OE1-NH1 2.64Å; E120-R124 PolarHBondContact OE1-NH1 2.97Å; E120-R124 IonicContact OE1-NH2 3.08Å; E120-R124 PolarHBondContact OE1-NH2 3.43Å; R124-A127 PolarHBondContact O-N 3.16Å; R124-L128 WeakPolarHBondContact O-CB 3.27Å; R124-L128 VanDerWaalsContact O-CG 3.29Å; R124-L128 WeakPolarHBondContact O-CG 3.38Å; R124-L128 PolarHBondContact O-N 3.25Å
125	A	87.3	Confident	87.3	Confident	49 Å²	49	104.7 Å²	104.7	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-36.5	176.4	0	0	0	0	0	113.2	R121 L122 E123 K129	R121-A125 VanDerWaalsContact O-CB 3.25Å; R121-A125 WeakPolarHBondContact O-CB 3.38Å; R121-A125 PolarHBondContact O-N 3.38Å; L122-A125 PolarHBondContact O-N 2.77Å; E123-A125 VanDerWaalsContact C-N 3.27Å; E123-A125 PolarHBondContact O-N 3.2Å; A125-K129 PolarHBondContact O-N 3.31Å
126	K	91.3	Very high	86.7	Confident	140 Å²	140	104.8 Å²	104.8	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-64	-48	171.2	-77.2	177.6	175.9	-175.3	0	111	L122 E123 L128 K129 A130	L122-K126 WeakPolarHBondContact O-CG 3.35Å; L122-K126 PolarHBondContact O-N 2.69Å; E123-K126 PolarHBondContact O-N 2.99Å; E123-K126 VanDerWaalsContact O-N 3.17Å; K126-L128 PolarHBondContact O-N 3.23Å; K126-K129 PolarHBondContact O-N 3.16Å; K126-A130 PolarHBondContact O-N 2.9Å
127	A	87.9	Confident	85.9	Confident	54 Å²	54	105 Å²	105	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-40.9	178.7	0	0	0	0	0	112.4	E123 R124 A130 K131	E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.01Å; R124-A127 PolarHBondContact O-N 3.16Å; A127-A130 PolarHBondContact O-N 2.92Å; A127-K131 WeakPolarHBondContact O-CG 3.21Å; A127-K131 PolarHBondContact O-N 2.92Å
128	L	87.6	Confident	85.2	Confident	120 Å²	120	107.7 Å²	107.7	63%	0.628	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-39.1	173.6	-74.2	171.8	0	0	0	112.3	R124 K126 K131 E132	R124-L128 WeakPolarHBondContact O-CB 3.27Å; R124-L128 VanDerWaalsContact O-CG 3.29Å; R124-L128 WeakPolarHBondContact O-CG 3.38Å; R124-L128 PolarHBondContact O-N 3.25Å; K126-L128 PolarHBondContact O-N 3.23Å; L128-K131 PolarHBondContact O-N 2.81Å; L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 PolarHBondContact O-N 2.89Å
129	K	87.2	Confident	84.5	Confident	146 Å²	146	114 Å²	114	64%	0.635	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-33.3	173.5	-82.7	-167.1	170.3	-167.3	0	113.7	A125 K126 E132 K133	A125-K129 PolarHBondContact O-N 3.31Å; K126-K129 PolarHBondContact O-N 3.16Å; K129-E132 PolarHBondContact O-N 2.84Å; K129-K133 PolarHBondContact O-N 3.28Å
130	A	83.9	Confident	83.3	Confident	61 Å²	61	113.6 Å²	113.6	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-47.1	172.5	0	0	0	0	0	110.7	K126 A127 E132 K133 D134	K126-A130 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.92Å; A130-E132 VanDerWaalsContact C-N 3.33Å; A130-E132 PolarHBondContact O-N 2.98Å; A130-K133 PolarHBondContact O-N 2.78Å; A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.49Å
131	K	85.8	Confident	82.3	Confident	141 Å²	141	116.6 Å²	116.6	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-64	-33.7	173.7	-69.4	-174.8	177	-171.1	0	113	A127 L128 L135	A127-K131 WeakPolarHBondContact O-CG 3.21Å; A127-K131 PolarHBondContact O-N 2.92Å; L128-K131 PolarHBondContact O-N 2.81Å; K131-L135 VanDerWaalsContact O-CB 3.27Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 WeakPolarHBondContact O-CD1 3.16Å; K131-L135 WeakPolarHBondContact O-CG 3.15Å; K131-L135 PolarHBondContact O-N 3.34Å
132	E	82.2	Confident	80.6	Confident	125 Å²	125	114 Å²	114	58%	0.584	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-42.4	173.8	-174.6	174.3	-147.8	0	0	111.7	L128 K129 A130 L135 V136	L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 PolarHBondContact O-N 2.89Å; K129-E132 PolarHBondContact O-N 2.84Å; A130-E132 VanDerWaalsContact C-N 3.33Å; A130-E132 PolarHBondContact O-N 2.98Å; E132-L135 PolarHBondContact O-N 3.43Å; E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.2Å; E132-V136 PolarHBondContact O-N 3.42Å
133	K	82.6	Confident	78.7	Confident	161 Å²	161	114.7 Å²	114.7	70%	0.7	57%	0.57	S	S	*	*	H	α-helix	trans	-61.2	-51.7	172.7	-80.4	-170.5	169.6	-162.9	0	111.9	K129 A130 L135 V136 E137	K129-K133 PolarHBondContact O-N 3.28Å; A130-K133 PolarHBondContact O-N 2.78Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 2.76Å; K133-V136 CarbonylContact O-C 3.59Å; K133-V136 WeakPolarHBondContact O-CA 3.29Å; K133-V136 PolarHBondContact O-N 3.49Å; K133-E137 WeakPolarHBondContact O-CB 3.33Å; K133-E137 PolarHBondContact O-N 3.3Å
134	D	78.8	Confident	77	Confident	65 Å²	65	114.9 Å²	114.9	35%	0.348	58%	0.58	S	S	.	*	H	α-helix	trans	-55.9	-42.8	177.4	175.3	55.3	0	0	0	112	A130 E137 K138	A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.49Å; D134-E137 PolarHBondContact O-N 2.69Å; D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 VanDerWaalsContact O-CG 3.31Å; D134-K138 WeakPolarHBondContact O-CG 3.02Å; D134-K138 PolarHBondContact O-N 3.19Å; D134-K138 WeakPolarHBondContact OD1-CE 2.99Å; D134-K138 IonicContact OD1-NZ 3.69Å; D134-K138 PolarHBondContact OD1-NZ 3.06Å; D134-K138 IonicContact OD2-NZ 2.72Å; D134-K138 PolarHBondContact OD2-NZ 2.77Å
135	L	76.4	Confident	75.3	Confident	93 Å²	93	113.3 Å²	113.3	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-70.2	-27.9	174.6	-73.4	170.6	0	0	0	113.8	K131 E132 K133 R139	K131-L135 VanDerWaalsContact O-CB 3.27Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 WeakPolarHBondContact O-CD1 3.16Å; K131-L135 WeakPolarHBondContact O-CG 3.15Å; K131-L135 PolarHBondContact O-N 3.34Å; E132-L135 PolarHBondContact O-N 3.43Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 2.76Å; L135-R139 WeakPolarHBondContact O-CB 3.39Å; L135-R139 VanDerWaalsContact O-CD 3.25Å; L135-R139 WeakPolarHBondContact O-CD 3.22Å; L135-R139 WeakPolarHBondContact O-CG 3.39Å; L135-R139 PolarHBondContact O-N 3.23Å; L135-R139 VanDerWaalsContact O-N 3.14Å
136	V	75.1	Confident	73.3	Confident	74 Å²	74	115.1 Å²	115.1	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-74.3	-44	172.9	165.3	0	0	0	0	110.5	E132 K133 R139 M140	E132-V136 WeakPolarHBondContact O-CB 3.47Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.2Å; E132-V136 PolarHBondContact O-N 3.42Å; K133-V136 CarbonylContact O-C 3.59Å; K133-V136 WeakPolarHBondContact O-CA 3.29Å; K133-V136 PolarHBondContact O-N 3.49Å; V136-R139 CarbonylContact O-C 3.52Å; V136-R139 WeakPolarHBondContact O-CA 3.35Å; V136-R139 WeakPolarHBondContact O-CB 3.09Å; V136-R139 PolarHBondContact O-N 3.36Å; V136-M140 WeakPolarHBondContact O-CG 3.25Å; V136-M140 PolarHBondContact O-N 2.69Å
137	E	75.8	Confident	71.3	Confident	118 Å²	118	113.7 Å²	113.7	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-63.3	-46.1	177.3	-171.6	160.6	-166.7	0	0	111.2	K133 D134 R139 M140 N141	K133-E137 WeakPolarHBondContact O-CB 3.33Å; K133-E137 PolarHBondContact O-N 3.3Å; D134-E137 PolarHBondContact O-N 2.69Å; E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 3.3Å; E137-M140 PolarHBondContact O-N 3.44Å; E137-N141 WeakPolarHBondContact O-CB 3.03Å; E137-N141 PolarHBondContact O-N 2.84Å
138	K	77.4	Confident	69.3	Low	108 Å²	108	117 Å²	117	47%	0.47	62%	0.623	S	S	.	*	H	α-helix	trans	-60.4	-31.1	170.2	-73.9	165.4	177.4	158.9	0	113	D134 L142	D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.46Å; D134-K138 VanDerWaalsContact O-CG 3.31Å; D134-K138 WeakPolarHBondContact O-CG 3.02Å; D134-K138 PolarHBondContact O-N 3.19Å; D134-K138 WeakPolarHBondContact OD1-CE 2.99Å; D134-K138 IonicContact OD1-NZ 3.69Å; D134-K138 PolarHBondContact OD1-NZ 3.06Å; D134-K138 IonicContact OD2-NZ 2.72Å; D134-K138 PolarHBondContact OD2-NZ 2.77Å; K138-L142 WeakPolarHBondContact O-CB 3.4Å; K138-L142 WeakPolarHBondContact O-CD1 3.31Å; K138-L142 WeakPolarHBondContact O-CG 2.97Å; K138-L142 PolarHBondContact O-N 3.42Å
139	R	73.2	Confident	67.2	Low	185 Å²	185	117.3 Å²	117.3	70%	0.698	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-23.2	173.4	-79.5	167.3	-177.1	176.2	2.7	114.3	L135 V136 E137	L135-R139 WeakPolarHBondContact O-CB 3.39Å; L135-R139 VanDerWaalsContact O-CD 3.25Å; L135-R139 WeakPolarHBondContact O-CD 3.22Å; L135-R139 WeakPolarHBondContact O-CG 3.39Å; L135-R139 PolarHBondContact O-N 3.23Å; L135-R139 VanDerWaalsContact O-N 3.14Å; V136-R139 CarbonylContact O-C 3.52Å; V136-R139 WeakPolarHBondContact O-CA 3.35Å; V136-R139 WeakPolarHBondContact O-CB 3.09Å; V136-R139 PolarHBondContact O-N 3.36Å; E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 3.3Å
140	M	66.6	Low	65.2	Low	155 Å²	155	115.1 Å²	115.1	76%	0.764	62%	0.624	S	S	*	*	H	α-helix	trans	-83.8	-35.5	173.5	-63.7	-66	-71.3	0	0	111.3	V136 E137	V136-M140 WeakPolarHBondContact O-CG 3.25Å; V136-M140 PolarHBondContact O-N 2.69Å; E137-M140 PolarHBondContact O-N 3.44Å
141	N	67.8	Low	63.6	Low	120 Å²	120	119.1 Å²	119.1	64%	0.642	63%	0.63	S	S	*	*	H	α-helix	trans	-97.7	-9.8	-172.4	-62.5	-13.1	0	0	0	114.3	E137 P143	E137-N141 WeakPolarHBondContact O-CB 3.03Å; E137-N141 PolarHBondContact O-N 2.84Å; N141-P143 WeakPolarHBondContact O-CD 3.32Å
142	L	56.7	Low	61.9	Low	114 Å²	114	118.4 Å²	118.4	60%	0.597	63%	0.627	S	S	*	*	S	Bend	trans	-71	117.9	168.9	-86.6	166.8	0	0	0	109.7	K138 V144	K138-L142 WeakPolarHBondContact O-CB 3.4Å; K138-L142 WeakPolarHBondContact O-CD1 3.31Å; K138-L142 WeakPolarHBondContact O-CG 2.97Å; K138-L142 PolarHBondContact O-N 3.42Å; L142-V144 PolarHBondContact O-N 3.47Å
143	P	51.7	Low	60.2	Low	113 Å²	113	115.6 Å²	115.6	73%	0.734	62%	0.619	S	S	*	*			trans	-66	106.6	173.6	27.6	-33	0	0	0	108.3	N141 P145	N141-P143 WeakPolarHBondContact O-CD 3.32Å; P143-P145 WeakPolarHBondContact O-CD 3.38Å
144	V	51.6	Low	58.5	Low	125 Å²	125	112.4 Å²	112.4	76%	0.758	61%	0.606	S	S	*	*			trans	-59.4	110.5	-177.3	177.6	0	0	0	0	108.9	L142 A146	L142-V144 PolarHBondContact O-N 3.47Å; V144-A146 PolarHBondContact O-N 3.2Å
145	P	55.3	Low	57.1	Low	113 Å²	113	114.1 Å²	114.1	73%	0.734	62%	0.619	S	S	*	*			trans	-67.9	114.8	175.4	-13.9	30.6	0	0	0	106.3	P143 P147	P143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-P147 WeakPolarHBondContact O-CD 3.5Å
146	A	44.9	Very low	55.8	Low	87 Å²	87	112 Å²	112	72%	0.719	61%	0.611	S	S	*	*			trans	-55.5	117.6	178.2	0	0	0	0	0	107.7	V144 V148	V144-A146 PolarHBondContact O-N 3.2Å; A146-V148 PolarHBondContact O-N 3.06Å
147	P	48.4	Very low	54.8	Low	110 Å²	110	113 Å²	113	71%	0.714	62%	0.617	S	S	*	*			trans	-65.9	108.2	-166.7	23.2	-33	0	0	0	109.3	P145 V149	P145-P147 WeakPolarHBondContact O-CD 3.5Å; P147-V149 PolarHBondContact O-N 3.1Å
148	V	45.9	Very low	53.8	Low	124 Å²	124	112.6 Å²	112.6	75%	0.752	62%	0.615	S	S	*	*			trans	-45.8	126.5	165.1	176.3	0	0	0	0	106.4	A146 D150	A146-V148 PolarHBondContact O-N 3.06Å; V148-D150 PolarHBondContact O-N 3.32Å
149	V	43.7	Very low	52.8	Low	126 Å²	126	109 Å²	109	76%	0.764	60%	0.601	S	S	*	*			trans	-79.4	67.1	-165.4	-171.7	0	0	0	0	110.3	P147 K151	P147-V149 PolarHBondContact O-N 3.1Å; V149-K151 PolarHBondContact O-N 3.32Å; V149-K151 VanDerWaalsContact O-N 3.12Å
150	D	46.2	Very low	52.1	Low	99 Å²	99	105.4 Å²	105.4	53%	0.529	60%	0.596	S	S	.	*			trans	-71.6	102	179.4	-124.3	36.7	0	0	0	108.2	V148 K152	V148-D150 PolarHBondContact O-N 3.32Å; D150-K152 HydrophobicContact CB-CD 4.43Å; D150-K152 PolarHBondContact O-N 3.34Å; D150-K152 VanDerWaalsContact OD2-CE 3.29Å; D150-K152 WeakPolarHBondContact OD2-CE 3.13Å; D150-K152 IonicContact OD2-NZ 3.9Å; D150-K152 PolarHBondContact OD2-NZ 2.67Å
151	K	50.5	Low	51.8	Low	145 Å²	145	104.3 Å²	104.3	63%	0.63	59%	0.587	S	S	*	*			trans	-66.5	78.1	-177.3	-77.8	167.4	-171.3	156.5	0	109.9	V149 S748 P749	V149-K151 PolarHBondContact O-N 3.32Å; V149-K151 VanDerWaalsContact O-N 3.12Å; K151-S748 VanDerWaalsContact CB-O 3.22Å; K151-S748 WeakPolarHBondContact CB-O 3.42Å; K151-S748 WeakPolarHBondContact CG-O 3.43Å; K151-P749 CarbonylContact O-C 3.5Å; K151-P749 VanDerWaalsContact O-CA 3.24Å; K151-P749 WeakPolarHBondContact O-CA 3.16Å
152	K	48.8	Very low	51.6	Low	126 Å²	126	99.3 Å²	99.3	55%	0.548	56%	0.56	S	S	.	*			trans	-108.8	146.5	176.8	-82.2	157.9	177.4	163.2	0	110.7	D150 E154 S748 S750	D150-K152 HydrophobicContact CB-CD 4.43Å; D150-K152 PolarHBondContact O-N 3.34Å; D150-K152 VanDerWaalsContact OD2-CE 3.29Å; D150-K152 WeakPolarHBondContact OD2-CE 3.13Å; D150-K152 IonicContact OD2-NZ 3.9Å; D150-K152 PolarHBondContact OD2-NZ 2.67Å; K152-E154 PolarHBondContact O-N 2.79Å; K152-S748 WeakPolarHBondContact O-CA 3.31Å; K152-S750 VanDerWaalsContact CG-O 3.24Å; K152-S750 WeakPolarHBondContact CG-O 3.32Å
153	T	46.8	Very low	52	Low	66 Å²	66	99.1 Å²	99.1	41%	0.405	55%	0.552	S	S	.	*			trans	-67.9	130.7	-157.6	-32.5	0	0	0	0	113.4	T155 P749 S750	T153-T155 PolarHBondContact O-N 3.1Å; T153-P749 HydrophobicContact CG2-CB 3.88Å; T153-S750 VanDerWaalsContact OG1-CA 3.26Å; T153-S750 WeakPolarHBondContact OG1-CA 3.31Å; T153-S750 PolarHBondContact OG1-N 2.87Å
154	E	47.4	Very low	52.7	Low	94 Å²	94	97.6 Å²	97.6	44%	0.439	54%	0.542	S	S	.	.			trans	-61	81.8	141.5	-74.9	-177.4	-156.1	0	0	109.4	K152 R747 S748	K152-E154 PolarHBondContact O-N 2.79Å; E154-R747 HydrophobicContact CG-CG 4.2Å; E154-R747 WeakPolarHBondContact OE1-CG 3.27Å; E154-R747 IonicContact OE1-NE 3.13Å; E154-R747 IonicContact OE2-CZ 3.42Å; E154-R747 IonicContact OE2-NE 2.83Å; E154-R747 PolarHBondContact OE2-NE 2.81Å; E154-R747 IonicContact OE2-NH2 3.09Å; E154-R747 PolarHBondContact OE2-NH2 3.03Å; E154-S748 PolarHBondContact N-OG 3.4Å
155	T	48.5	Very low	53.3	Low	102 Å²	102	93.2 Å²	93.2	63%	0.626	52%	0.516	S	S	*	.			trans	-54.9	121	151.3	40	0	0	0	0	106.4	T153 V157	T153-T155 PolarHBondContact O-N 3.1Å; T155-V157 PolarHBondContact O-N 3.47Å
156	P	49.2	Very low	54	Low	47 Å²	47	90.5 Å²	90.5	31%	0.305	49%	0.492	S	S	.	.			trans	-66.1	136.5	-175.6	28.1	-33.7	0	0	0	109	E158 D159	P156-E158 HydrophobicContact CB-CB 4.2Å; P156-E158 HydrophobicContact CB-CG 4.21Å; P156-E158 HydrophobicContact CG-CB 4.44Å; P156-E158 PolarHBondContact O-N 2.87Å; P156-D159 PolarHBondContact O-N 3.46Å
157	V	54.6	Low	55.1	Low	96 Å²	96	91.3 Å²	91.3	58%	0.582	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-12.8	172.1	178	0	0	0	0	112.9	T155 D159 D160 F161	T155-V157 PolarHBondContact O-N 3.47Å; V157-D159 PolarHBondContact O-N 3.02Å; V157-D160 PolarHBondContact O-N 2.85Å; V157-F161 HydrophobicContact CG1-CD2 4.35Å; V157-F161 HydrophobicContact CG1-CE2 3.97Å; V157-F161 WeakPolarHBondContact O-CD2 3.31Å
158	E	55.5	Low	56.1	Low	110 Å²	110	92.1 Å²	92.1	51%	0.514	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.5	166.7	-58.6	-173.6	157	0	0	113.9	P156 L162	P156-E158 HydrophobicContact CB-CB 4.2Å; P156-E158 HydrophobicContact CB-CG 4.21Å; P156-E158 HydrophobicContact CG-CB 4.44Å; P156-E158 PolarHBondContact O-N 2.87Å; E158-L162 PolarHBondContact O-N 3.34Å
159	D	54.9	Low	56.8	Low	32 Å²	32	88 Å²	88	17%	0.171	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-32.4	-179.4	-70.6	-25.1	0	0	0	113.5	P156 V157 F161 L162 R199	P156-D159 PolarHBondContact O-N 3.46Å; V157-D159 PolarHBondContact O-N 3.02Å; D159-F161 PolarHBondContact O-N 3.17Å; D159-L162 VanDerWaalsContact O-CB 3.32Å; D159-L162 WeakPolarHBondContact O-CB 3.45Å; D159-L162 PolarHBondContact O-N 2.9Å; D159-R199 IonicContact OD1-CZ 2.73Å; D159-R199 IonicContact OD1-NE 2.71Å; D159-R199 IonicContact OD1-NH2 3.92Å; D159-R199 PolarHBondContact OD1-NH2 3.32Å; D159-R199 IonicContact OD2-CZ 2.58Å; D159-R199 IonicContact OD2-NH2 3.77Å; D159-R199 PolarHBondContact OD2-NH2 2.92Å
160	D	60.2	Low	57.8	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.9	174.4	-53.6	-43.5	0	0	0	111.4	V157 P164	V157-D160 PolarHBondContact O-N 2.85Å; D160-P164 WeakPolarHBondContact O-CD 3.47Å
161	F	59.3	Low	58.7	Low	132 Å²	132	81.1 Å²	81.1	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.1	173.9	-67.2	-75.9	0	0	0	113.6	V157 D159 C165	V157-F161 HydrophobicContact CG1-CD2 4.35Å; V157-F161 HydrophobicContact CG1-CE2 3.97Å; V157-F161 WeakPolarHBondContact O-CD2 3.31Å; D159-F161 PolarHBondContact O-N 3.17Å; F161-C165 PolarHBondContact O-SG 3.49Å; F161-C165 VanDerWaalsContact O-SG 3.36Å
162	L	63.8	Low	59.7	Low	15 Å²	15	77.1 Å²	77.1	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-72.8	-44.1	178.1	-174.9	66.3	0	0	0	110.9	E158 D159 C165 Y166 T195 W198	E158-L162 PolarHBondContact O-N 3.34Å; D159-L162 VanDerWaalsContact O-CB 3.32Å; D159-L162 WeakPolarHBondContact O-CB 3.45Å; D159-L162 PolarHBondContact O-N 2.9Å; L162-C165 PolarHBondContact O-N 3.35Å; L162-Y166 WeakPolarHBondContact O-CB 3.25Å; L162-Y166 PolarHBondContact O-N 2.74Å; L162-T195 HydrophobicContact CD2-CG2 3.74Å; L162-W198 HydrophobicContact CD1-CD2 4.05Å; L162-W198 HydrophobicContact CD1-CE3 3.73Å; L162-W198 HydrophobicContact CD1-CH2 4.02Å; L162-W198 HydrophobicContact CD1-CZ2 4.33Å; L162-W198 HydrophobicContact CD1-CZ3 3.71Å
163	W	64.8	Low	60.5	Low	111 Å²	111	72 Å²	72	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-54.6	-173.8	-69.4	111.8	0	0	0	114.4	C165 Y166 Y167 P189 P190	W163-C165 PolarHBondContact O-N 3.18Å; W163-Y166 PolarHBondContact O-N 2.78Å; W163-Y167 HydrophobicContact CE3-CD2 4.37Å; W163-Y167 HydrophobicContact CE3-CE2 4.06Å; W163-Y167 WeakPolarHBondContact O-CD2 3.25Å; W163-Y167 PolarHBondContact O-N 2.81Å; W163-P189 HydrophobicContact CH2-CB 3.52Å; W163-P189 HydrophobicContact CZ3-CB 3.87Å; W163-P190 HydrophobicContact CZ3-CG 4.46Å
164	P	67.6	Low	61	Low	81 Å²	81	74.6 Å²	74.6	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-36	-178.7	-21.7	34.1	0	0	0	111.6	D160 Q168	D160-P164 WeakPolarHBondContact O-CD 3.47Å; P164-Q168 WeakPolarHBondContact O-CB 3.36Å; P164-Q168 PolarHBondContact O-N 3.4Å
165	C	63.7	Low	61.8	Low	33 Å²	33	72.4 Å²	72.4	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-73.5	-35.7	178.7	-63.9	0	0	0	0	112.9	F161 L162 W163 V169 M259	F161-C165 PolarHBondContact O-SG 3.49Å; F161-C165 VanDerWaalsContact O-SG 3.36Å; L162-C165 PolarHBondContact O-N 3.35Å; W163-C165 PolarHBondContact O-N 3.18Å; C165-V169 VanDerWaalsContact O-CB 3.31Å; C165-V169 WeakPolarHBondContact O-CB 3.25Å; C165-V169 WeakPolarHBondContact O-CG2 3.29Å; C165-V169 PolarHBondContact O-N 2.88Å; C165-V169 VanDerWaalsContact O-N 3.1Å; C165-M259 HydrophobicContact CB-CE 3.39Å; C165-M259 HydrophobicContact CB-SD 4.1Å; C165-M259 VanDerWaalsContact SG-CE 3.54Å
166	Y	68.8	Low	62.6	Low	55 Å²	55	73.6 Å²	73.6	22%	0.216	37%	0.368	C	S	.	.	H	α-helix	trans	-65.5	-50.6	173	-177.8	-97.9	0	0	0	111	L162 W163 Q168 V169 C170 I187 L188 P190	L162-Y166 WeakPolarHBondContact O-CB 3.25Å; L162-Y166 PolarHBondContact O-N 2.74Å; W163-Y166 PolarHBondContact O-N 2.78Å; Y166-Q168 PolarHBondContact O-N 3.41Å; Y166-V169 PolarHBondContact O-N 3.3Å; Y166-C170 WeakPolarHBondContact O-CB 3.39Å; Y166-C170 PolarHBondContact O-N 3.13Å; Y166-I187 HydrophobicContact CD1-CG2 4.22Å; Y166-I187 HydrophobicContact CE1-CG2 3.75Å; Y166-L188 WeakPolarHBondContact CE1-O 3.39Å; Y166-L188 PolarHBondContact OH-O 3.28Å; Y166-P190 HydrophobicContact CD1-CG 4.29Å; Y166-P190 HydrophobicContact CD2-CB 4.02Å; Y166-P190 HydrophobicContact CD2-CG 3.88Å; Y166-P190 HydrophobicContact CE1-CG 4.29Å; Y166-P190 HydrophobicContact CE2-CB 3.58Å; Y166-P190 HydrophobicContact CE2-CG 3.89Å; Y166-P190 HydrophobicContact CG-CG 4.08Å
167	Y	68.6	Low	62.9	Low	105 Å²	105	76 Å²	76	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-50.6	177.2	-91.9	-87.9	0	0	0	111.9	W163 V169 C170 I171 I187	W163-Y167 HydrophobicContact CE3-CD2 4.37Å; W163-Y167 HydrophobicContact CE3-CE2 4.06Å; W163-Y167 WeakPolarHBondContact O-CD2 3.25Å; W163-Y167 PolarHBondContact O-N 2.81Å; Y167-V169 VanDerWaalsContact C-N 3.27Å; Y167-V169 PolarHBondContact O-N 2.8Å; Y167-C170 PolarHBondContact O-N 2.82Å; Y167-C170 VanDerWaalsContact O-N 3.17Å; Y167-I171 WeakPolarHBondContact O-CB 3.17Å; Y167-I171 WeakPolarHBondContact O-CD1 3.31Å; Y167-I171 VanDerWaalsContact O-CG1 3.22Å; Y167-I171 WeakPolarHBondContact O-CG1 3.27Å; Y167-I171 PolarHBondContact O-N 3.28Å; Y167-I187 HydrophobicContact CD1-CB 4.18Å; Y167-I187 HydrophobicContact CD1-CD1 3.82Å; Y167-I187 HydrophobicContact CD1-CG2 4.04Å; Y167-I187 HydrophobicContact CE1-CB 3.74Å; Y167-I187 HydrophobicContact CE1-CD1 4.13Å; Y167-I187 HydrophobicContact CE1-CG1 4.48Å; Y167-I187 HydrophobicContact CE1-CG2 3.88Å
168	Q	69.2	Low	63.1	Low	127 Å²	127	75.4 Å²	75.4	59%	0.593	37%	0.374	S	S	*	.	H	α-helix	trans	-59.3	-37.5	178.5	-172.8	171.9	51.9	0	0	112.2	P164 Y166 I172	P164-Q168 WeakPolarHBondContact O-CB 3.36Å; P164-Q168 PolarHBondContact O-N 3.4Å; Y166-Q168 PolarHBondContact O-N 3.41Å; Q168-I172 HydrophobicContact CG-CD1 3.9Å; Q168-I172 WeakPolarHBondContact O-CB 3.26Å; Q168-I172 WeakPolarHBondContact O-CD1 3.42Å; Q168-I172 WeakPolarHBondContact O-CG1 3.3Å; Q168-I172 PolarHBondContact O-N 3.36Å
169	V	60.4	Low	62.9	Low	37 Å²	37	73.1 Å²	73.1	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-71.8	-38.3	176.7	168.6	0	0	0	0	112.5	C165 Y166 Y167 G173 C255	C165-V169 VanDerWaalsContact O-CB 3.31Å; C165-V169 WeakPolarHBondContact O-CB 3.25Å; C165-V169 WeakPolarHBondContact O-CG2 3.29Å; C165-V169 PolarHBondContact O-N 2.88Å; C165-V169 VanDerWaalsContact O-N 3.1Å; Y166-V169 PolarHBondContact O-N 3.3Å; Y167-V169 VanDerWaalsContact C-N 3.27Å; Y167-V169 PolarHBondContact O-N 2.8Å; V169-G173 PolarHBondContact O-N 3.14Å; V169-C255 HydrophobicContact CG2-CB 4.09Å; V169-C255 VanDerWaalsContact CG2-SG 3.52Å
170	C	64.7	Low	62.9	Low	29 Å²	29	77.2 Å²	77.2	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-69.8	-38	176.1	-76.2	0	0	0	0	112.7	Y166 Y167 R174 I187	Y166-C170 WeakPolarHBondContact O-CB 3.39Å; Y166-C170 PolarHBondContact O-N 3.13Å; Y167-C170 PolarHBondContact O-N 2.82Å; Y167-C170 VanDerWaalsContact O-N 3.17Å; C170-R174 WeakPolarHBondContact O-CB 3.39Å; C170-R174 PolarHBondContact O-N 3.23Å; C170-I187 HydrophobicContact CB-CD1 4.03Å; C170-I187 HydrophobicContact CB-CG1 4.34Å; C170-I187 HydrophobicContact CB-CG2 3.91Å
171	I	65.7	Low	62.7	Low	51 Å²	51	83.5 Å²	83.5	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-52.6	174.4	-65.8	163.7	0	0	0	109.8	Y167 G173 R174 T175 L183 I187	Y167-I171 WeakPolarHBondContact O-CB 3.17Å; Y167-I171 WeakPolarHBondContact O-CD1 3.31Å; Y167-I171 VanDerWaalsContact O-CG1 3.22Å; Y167-I171 WeakPolarHBondContact O-CG1 3.27Å; Y167-I171 PolarHBondContact O-N 3.28Å; I171-G173 PolarHBondContact O-N 2.67Å; I171-R174 PolarHBondContact O-N 2.87Å; I171-T175 HydrophobicContact CG2-CG2 4.35Å; I171-T175 WeakPolarHBondContact O-CB 3.49Å; I171-T175 VanDerWaalsContact O-CG2 3.3Å; I171-T175 WeakPolarHBondContact O-CG2 3.47Å; I171-T175 PolarHBondContact O-N 2.65Å; I171-T175 PolarHBondContact O-OG1 3.03Å; I171-L183 HydrophobicContact CD1-CD2 3.62Å; I171-L183 HydrophobicContact CG1-CD2 3.84Å; I171-L183 HydrophobicContact CG2-CD2 4.45Å; I171-I187 HydrophobicContact CD1-CD1 4.46Å; I171-I187 HydrophobicContact CG1-CD1 3.7Å
172	I	71.5	Confident	62.5	Low	61 Å²	61	86.3 Å²	86.3	31%	0.313	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-48.2	178.8	-66.6	167.1	0	0	0	110.3	Q168 R174 T175 E176 W251	Q168-I172 HydrophobicContact CG-CD1 3.9Å; Q168-I172 WeakPolarHBondContact O-CB 3.26Å; Q168-I172 WeakPolarHBondContact O-CD1 3.42Å; Q168-I172 WeakPolarHBondContact O-CG1 3.3Å; Q168-I172 PolarHBondContact O-N 3.36Å; I172-R174 PolarHBondContact O-N 3.39Å; I172-T175 PolarHBondContact O-N 2.8Å; I172-T175 PolarHBondContact O-OG1 3.01Å; I172-E176 HydrophobicContact CG2-CG 4.14Å; I172-E176 WeakPolarHBondContact CG2-OE1 3.48Å; I172-E176 WeakPolarHBondContact O-CB 3.31Å; I172-E176 WeakPolarHBondContact O-CG 3.36Å; I172-E176 PolarHBondContact O-N 3.42Å; I172-W251 HydrophobicContact CG2-CZ2 3.8Å
173	G	66.1	Low	62.2	Low	18 Å²	18	91.3 Å²	91.3	19%	0.186	45%	0.448	C	S	.	.	H	α-helix	trans	-59.6	-42.5	-179.9	0	0	0	0	0	113.9	V169 I171 L177	V169-G173 PolarHBondContact O-N 3.14Å; I171-G173 PolarHBondContact O-N 2.67Å; G173-L177 VanDerWaalsContact O-CB 3.27Å; G173-L177 WeakPolarHBondContact O-CB 3.43Å; G173-L177 WeakPolarHBondContact O-CD1 3.29Å; G173-L177 VanDerWaalsContact O-CG 3.24Å; G173-L177 WeakPolarHBondContact O-CG 3.14Å; G173-L177 PolarHBondContact O-N 3.49Å
174	R	57.8	Low	61.8	Low	122 Å²	122	87.5 Å²	87.5	46%	0.46	44%	0.438	S	S	.	.	H	α-helix	trans	-73.3	-42.5	176.7	-80.7	179.5	165.5	165.2	-10.2	112.5	C170 I171 I172 L177 T178 P184 D186	C170-R174 WeakPolarHBondContact O-CB 3.39Å; C170-R174 PolarHBondContact O-N 3.23Å; I171-R174 PolarHBondContact O-N 2.87Å; I172-R174 PolarHBondContact O-N 3.39Å; R174-L177 PolarHBondContact O-N 2.83Å; R174-T178 WeakPolarHBondContact O-CB 3.17Å; R174-T178 WeakPolarHBondContact O-CG2 3.28Å; R174-T178 PolarHBondContact O-N 2.87Å; R174-T178 PolarHBondContact O-OG1 3.39Å; R174-P184 HydrophobicContact CB-CG 4.18Å; R174-P184 HydrophobicContact CG-CG 4.41Å; R174-P184 VanDerWaalsContact NH1-CB 3.27Å; R174-D186 PolarHBondContact NH1-O 3.42Å
175	T	62.7	Low	61.3	Low	48 Å²	48	92.8 Å²	92.8	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-36.7	-179.5	54.1	0	0	0	0	112.7	I171 I172 G179 H180	I171-T175 HydrophobicContact CG2-CG2 4.35Å; I171-T175 WeakPolarHBondContact O-CB 3.49Å; I171-T175 VanDerWaalsContact O-CG2 3.3Å; I171-T175 WeakPolarHBondContact O-CG2 3.47Å; I171-T175 PolarHBondContact O-N 2.65Å; I171-T175 PolarHBondContact O-OG1 3.03Å; I172-T175 PolarHBondContact O-N 2.8Å; I172-T175 PolarHBondContact O-OG1 3.01Å; T175-G179 WeakPolarHBondContact O-CA 3.33Å; T175-G179 PolarHBondContact O-N 2.96Å; T175-H180 WeakPolarHBondContact CG2-O 3.43Å
176	E	64.9	Low	61	Low	127 Å²	127	97.2 Å²	97.2	59%	0.593	48%	0.477	S	S	*	.	H	α-helix	trans	-71	-32.9	173.3	-71.6	-175.4	-175.6	0	0	113.3	I172 W251	I172-E176 HydrophobicContact CG2-CG 4.14Å; I172-E176 WeakPolarHBondContact CG2-OE1 3.48Å; I172-E176 WeakPolarHBondContact O-CB 3.31Å; I172-E176 WeakPolarHBondContact O-CG 3.36Å; I172-E176 PolarHBondContact O-N 3.42Å; E176-W251 VanDerWaalsContact OE2-CH2 3.3Å; E176-W251 WeakPolarHBondContact OE2-CH2 3.47Å
177	L	56.1	Low	60.7	Low	97 Å²	97	95.1 Å²	95.1	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-84.9	-30.6	-179	-76.5	171.1	0	0	0	114.6	G173 R174 L244 V247	G173-L177 VanDerWaalsContact O-CB 3.27Å; G173-L177 WeakPolarHBondContact O-CB 3.43Å; G173-L177 WeakPolarHBondContact O-CD1 3.29Å; G173-L177 VanDerWaalsContact O-CG 3.24Å; G173-L177 WeakPolarHBondContact O-CG 3.14Å; G173-L177 PolarHBondContact O-N 3.49Å; R174-L177 PolarHBondContact O-N 2.83Å; L177-L244 HydrophobicContact CD1-CD2 3.73Å; L177-V247 HydrophobicContact CD1-CG1 4.28Å; L177-V247 HydrophobicContact CD2-CG1 4.4Å
178	T	59.5	Low	60.6	Low	83 Å²	83	96.2 Å²	96.2	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-104.5	-19.6	-176.1	65.4	0	0	0	0	113.3	R174 H180	R174-T178 WeakPolarHBondContact O-CB 3.17Å; R174-T178 WeakPolarHBondContact O-CG2 3.28Å; R174-T178 PolarHBondContact O-N 2.87Å; R174-T178 PolarHBondContact O-OG1 3.39Å; T178-H180 PolarHBondContact O-CD2 3.17Å; T178-H180 PolarHBondContact O-N 2.89Å; T178-H180 VanDerWaalsContact O-N 3.09Å; T178-H180 PolarHBondContact OG1-N 2.73Å
179	G	50.3	Low	60.5	Low	62 Å²	62	94.3 Å²	94.3	64%	0.639	48%	0.48	S	S	*	.			trans	69.9	-8.7	-171.6	0	0	0	0	0	114.8	T175	T175-G179 WeakPolarHBondContact O-CA 3.33Å; T175-G179 PolarHBondContact O-N 2.96Å
180	H	54.5	Low	61	Low	119 Å²	119	93.2 Å²	93.2	55%	0.551	47%	0.474	S	S	*	.			trans	-70.5	135.8	176.4	-76.7	-100.9	0	0	0	110.5	T175 T178 Y182	T175-H180 WeakPolarHBondContact CG2-O 3.43Å; T178-H180 PolarHBondContact O-CD2 3.17Å; T178-H180 PolarHBondContact O-N 2.89Å; T178-H180 VanDerWaalsContact O-N 3.09Å; T178-H180 PolarHBondContact OG1-N 2.73Å; H180-Y182 VanDerWaalsContact C-N 3.34Å; H180-Y182 HydrophobicContact CB-CD2 4.45Å
181	R	57	Low	61.4	Low	240 Å²	240	95.1 Å²	95.1	91%	0.906	49%	0.487	S	S	*	.			trans	-84.6	-6.2	177.8	-72.5	-177.4	167.5	-164.4	-3.6	114.1
182	Y	54.5	Low	61.7	Low	191 Å²	191	96.7 Å²	96.7	75%	0.749	51%	0.508	S	S	*	.	S	Bend	trans	-75.7	136.9	-177.5	-60.2	-76	0	0	0	110.3	H180	H180-Y182 VanDerWaalsContact C-N 3.34Å; H180-Y182 HydrophobicContact CB-CD2 4.45Å
183	L	58.2	Low	61.9	Low	120 Å²	120	102.1 Å²	102.1	63%	0.628	53%	0.529	S	S	*	.			trans	-60.2	132.4	166.1	-86.3	155.4	0	0	0	108	I171 E185	I171-L183 HydrophobicContact CD1-CD2 3.62Å; I171-L183 HydrophobicContact CG1-CD2 3.84Å; I171-L183 HydrophobicContact CG2-CD2 4.45Å; L183-E185 PolarHBondContact O-N 2.94Å
184	P	56.2	Low	62.2	Low	31 Å²	31	104.8 Å²	104.8	20%	0.201	54%	0.537	C	S	.	.			trans	-71.1	113	167.8	-1.7	17.7	0	0	0	107.1	R174 D186 I187	R174-P184 HydrophobicContact CB-CG 4.18Å; R174-P184 HydrophobicContact CG-CG 4.41Å; R174-P184 VanDerWaalsContact NH1-CB 3.27Å; P184-D186 PolarHBondContact O-N 3.34Å; P184-I187 HydrophobicContact CB-CG1 4.07Å; P184-I187 HydrophobicContact CG-CD1 4.15Å; P184-I187 HydrophobicContact CG-CG1 4.09Å
185	E	56.3	Low	62.9	Low	193 Å²	193	99.9 Å²	99.9	90%	0.902	52%	0.521	S	S	*	.	S	Bend	trans	-60.5	-39.5	179.2	-68	165.9	167.9	0	0	110	L183 I187	L183-E185 PolarHBondContact O-N 2.94Å; E185-I187 PolarHBondContact O-N 3.35Å
186	D	58.3	Low	63.3	Low	126 Å²	126	99.6 Å²	99.6	67%	0.674	52%	0.523	S	S	*	.			trans	-89.9	81.1	169.6	-66.3	-53.7	0	0	0	113.5	R174 P184	R174-D186 PolarHBondContact NH1-O 3.42Å; P184-D186 PolarHBondContact O-N 3.34Å
187	I	62.2	Low	63.7	Low	10 Å²	10	97.8 Å²	97.8	5%	0.051	51%	0.514	C	S	.	.			trans	-93.1	88.2	155	-65.1	172.8	0	0	0	107.9	Y166 Y167 C170 I171 P184 E185	Y166-I187 HydrophobicContact CD1-CG2 4.22Å; Y166-I187 HydrophobicContact CE1-CG2 3.75Å; Y167-I187 HydrophobicContact CD1-CB 4.18Å; Y167-I187 HydrophobicContact CD1-CD1 3.82Å; Y167-I187 HydrophobicContact CD1-CG2 4.04Å; Y167-I187 HydrophobicContact CE1-CB 3.74Å; Y167-I187 HydrophobicContact CE1-CD1 4.13Å; Y167-I187 HydrophobicContact CE1-CG1 4.48Å; Y167-I187 HydrophobicContact CE1-CG2 3.88Å; C170-I187 HydrophobicContact CB-CD1 4.03Å; C170-I187 HydrophobicContact CB-CG1 4.34Å; C170-I187 HydrophobicContact CB-CG2 3.91Å; I171-I187 HydrophobicContact CD1-CD1 4.46Å; I171-I187 HydrophobicContact CG1-CD1 3.7Å; P184-I187 HydrophobicContact CB-CG1 4.07Å; P184-I187 HydrophobicContact CG-CD1 4.15Å; P184-I187 HydrophobicContact CG-CG1 4.09Å; E185-I187 PolarHBondContact O-N 3.35Å
188	L	67.5	Low	64.3	Low	129 Å²	129	95.7 Å²	95.7	68%	0.675	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-55.8	143	175.8	-72.4	175.6	0	0	0	111.6	Y166	Y166-L188 WeakPolarHBondContact CE1-O 3.39Å; Y166-L188 PolarHBondContact OH-O 3.28Å
189	P	66.8	Low	64.8	Low	86 Å²	86	96.3 Å²	96.3	56%	0.558	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-61.8	141.6	176.1	26.1	-34.9	0	0	0	111.6	W163 S191	W163-P189 HydrophobicContact CH2-CB 3.52Å; W163-P189 HydrophobicContact CZ3-CB 3.87Å; P189-S191 PolarHBondContact O-N 3.14Å
190	P	69.6	Low	65.7	Low	15 Å²	15	101.4 Å²	101.4	10%	0.097	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-62.8	132.5	-179.9	23.5	-29.5	0	0	0	110.6	W163 Y166 E194	W163-P190 HydrophobicContact CZ3-CG 4.46Å; Y166-P190 HydrophobicContact CD1-CG 4.29Å; Y166-P190 HydrophobicContact CD2-CB 4.02Å; Y166-P190 HydrophobicContact CD2-CG 3.88Å; Y166-P190 HydrophobicContact CE1-CG 4.29Å; Y166-P190 HydrophobicContact CE2-CB 3.58Å; Y166-P190 HydrophobicContact CE2-CG 3.89Å; Y166-P190 HydrophobicContact CG-CG 4.08Å; P190-E194 HydrophobicContact CB-CB 4.48Å
191	S	74.3	Confident	66.3	Low	68 Å²	68	100.6 Å²	100.6	48%	0.476	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-51.5	143.5	178.9	175.5	0	0	0	0	111.1	P189 K193 E194 T195	P189-S191 PolarHBondContact O-N 3.14Å; S191-K193 PolarHBondContact O-N 2.9Å; S191-K193 PolarHBondContact OG-N 3.46Å; S191-E194 WeakPolarHBondContact O-CA 3.49Å; S191-E194 WeakPolarHBondContact O-CB 3.22Å; S191-E194 PolarHBondContact O-N 3Å; S191-T195 PolarHBondContact O-N 3.02Å; S191-T195 PolarHBondContact O-OG1 3.35Å
192	A	71.6	Confident	66.7	Low	84 Å²	84	91.3 Å²	91.3	69%	0.694	46%	0.455	S	S	*	.	H	α-helix	trans	-51.5	-30.1	173.6	0	0	0	0	0	112.6	A196	A192-A196 WeakPolarHBondContact O-CB 3.23Å; A192-A196 PolarHBondContact O-N 2.95Å
193	K	76	Confident	67	Low	176 Å²	176	85.8 Å²	85.8	77%	0.765	44%	0.441	S	S	*	.	H	α-helix	trans	-65.4	-46.6	172.1	-174.7	178	179.5	179.6	0	112.4	S191 E197	S191-K193 PolarHBondContact O-N 2.9Å; S191-K193 PolarHBondContact OG-N 3.46Å; K193-E197 WeakPolarHBondContact O-CB 3.35Å; K193-E197 PolarHBondContact O-N 2.99Å
194	E	72.5	Confident	67	Low	73 Å²	73	87.2 Å²	87.2	34%	0.341	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-44.9	176.2	-69.5	-162.5	100.8	0	0	111.9	P190 S191 A196 E197 W198 K252	P190-E194 HydrophobicContact CB-CB 4.48Å; S191-E194 WeakPolarHBondContact O-CA 3.49Å; S191-E194 WeakPolarHBondContact O-CB 3.22Å; S191-E194 PolarHBondContact O-N 3Å; E194-A196 PolarHBondContact O-N 3.4Å; E194-E197 CarbonylContact O-C 3.48Å; E194-E197 PolarHBondContact O-N 3.34Å; E194-E197 VanDerWaalsContact O-N 3.12Å; E194-W198 WeakPolarHBondContact O-CB 3.44Å; E194-W198 PolarHBondContact O-N 3.05Å; E194-K252 IonicContact OE1-NZ 3.64Å; E194-K252 PolarHBondContact OE1-NZ 3.44Å
195	T	72.9	Confident	66.7	Low	20 Å²	20	91.9 Å²	91.9	12%	0.123	46%	0.461	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.3	-65	0	0	0	0	111	L162 S191 E197 W198 R199	L162-T195 HydrophobicContact CD2-CG2 3.74Å; S191-T195 PolarHBondContact O-N 3.02Å; S191-T195 PolarHBondContact O-OG1 3.35Å; T195-E197 VanDerWaalsContact C-N 3.34Å; T195-E197 PolarHBondContact O-N 3.35Å; T195-W198 PolarHBondContact O-N 2.97Å; T195-R199 WeakPolarHBondContact O-CB 3.31Å; T195-R199 VanDerWaalsContact O-CG 3.27Å; T195-R199 WeakPolarHBondContact O-CG 3.5Å; T195-R199 PolarHBondContact O-N 2.81Å
196	A	71	Confident	66.2	Low	41 Å²	41	92.1 Å²	92.1	34%	0.339	45%	0.454	S	S	.	.	H	α-helix	trans	-63.6	-37.4	172.5	0	0	0	0	0	112.4	A192 E194 R200	A192-A196 WeakPolarHBondContact O-CB 3.23Å; A192-A196 PolarHBondContact O-N 2.95Å; E194-A196 PolarHBondContact O-N 3.4Å; A196-R200 WeakPolarHBondContact O-CB 3.29Å; A196-R200 WeakPolarHBondContact O-CG 3.18Å; A196-R200 PolarHBondContact O-N 3.42Å
197	E	72.8	Confident	65.8	Low	89 Å²	89	96.5 Å²	96.5	42%	0.416	46%	0.461	S	S	.	.	H	α-helix	trans	-69.9	-39.9	176.3	-146.1	-151.4	151.7	0	0	112.4	K193 E194 T195 R200 R201	K193-E197 WeakPolarHBondContact O-CB 3.35Å; K193-E197 PolarHBondContact O-N 2.99Å; E194-E197 CarbonylContact O-C 3.48Å; E194-E197 PolarHBondContact O-N 3.34Å; E194-E197 VanDerWaalsContact O-N 3.12Å; T195-E197 VanDerWaalsContact C-N 3.34Å; T195-E197 PolarHBondContact O-N 3.35Å; E197-R200 CarbonylContact O-C 3.25Å; E197-R200 WeakPolarHBondContact O-CB 3.38Å; E197-R200 PolarHBondContact O-N 2.83Å; E197-R201 VanDerWaalsContact O-CG 3.3Å; E197-R201 WeakPolarHBondContact O-CG 3.27Å; E197-R201 PolarHBondContact O-N 2.64Å; E197-R201 IonicContact OE1-CZ 2.65Å; E197-R201 IonicContact OE1-NE 2.8Å; E197-R201 PolarHBondContact OE1-NE 2.78Å; E197-R201 IonicContact OE1-NH2 2.83Å; E197-R201 PolarHBondContact OE1-NH2 3.36Å; E197-R201 IonicContact OE2-CZ 2.71Å; E197-R201 IonicContact OE2-NE 3.18Å; E197-R201 IonicContact OE2-NH2 2.84Å; E197-R201 PolarHBondContact OE2-NH2 3.26Å
198	W	68.4	Low	65.2	Low	53 Å²	53	100.3 Å²	100.3	20%	0.201	49%	0.488	C	S	.	.	H	α-helix	trans	-62.6	-49.3	175.4	-167	95.1	0	0	0	110.7	L162 E194 T195 R200 R201 V202 M259 L263	L162-W198 HydrophobicContact CD1-CD2 4.05Å; L162-W198 HydrophobicContact CD1-CE3 3.73Å; L162-W198 HydrophobicContact CD1-CH2 4.02Å; L162-W198 HydrophobicContact CD1-CZ2 4.33Å; L162-W198 HydrophobicContact CD1-CZ3 3.71Å; E194-W198 WeakPolarHBondContact O-CB 3.44Å; E194-W198 PolarHBondContact O-N 3.05Å; T195-W198 PolarHBondContact O-N 2.97Å; W198-R200 VanDerWaalsContact C-N 3.31Å; W198-R200 PolarHBondContact O-N 3.43Å; W198-R201 PolarHBondContact O-N 3.28Å; W198-R201 VanDerWaalsContact O-N 3.1Å; W198-V202 HydrophobicContact CD2-CG2 3.97Å; W198-V202 HydrophobicContact CE3-CG2 3.85Å; W198-V202 HydrophobicContact CH2-CG2 4.05Å; W198-V202 HydrophobicContact CZ2-CG2 4.13Å; W198-V202 HydrophobicContact CZ3-CG2 3.9Å; W198-V202 WeakPolarHBondContact O-CG2 3.43Å; W198-V202 PolarHBondContact O-N 3.3Å; W198-M259 HydrophobicContact CH2-CE 3.98Å; W198-M259 HydrophobicContact CZ2-CE 3.65Å; W198-M259 HydrophobicContact CZ2-SD 4.1Å; W198-L263 HydrophobicContact CH2-CD1 3.72Å; W198-L263 HydrophobicContact CH2-CD2 4.12Å; W198-L263 HydrophobicContact CZ2-CD1 4.11Å
199	R	70.1	Confident	64.3	Low	96 Å²	96	105 Å²	105	36%	0.362	50%	0.497	S	S	.	.	H	α-helix	trans	-54.2	-44.2	170.5	-71.5	174.5	-176.8	174.5	4.2	111.5	D159 T195 T203	D159-R199 IonicContact OD1-CZ 2.73Å; D159-R199 IonicContact OD1-NE 2.71Å; D159-R199 IonicContact OD1-NH2 3.92Å; D159-R199 PolarHBondContact OD1-NH2 3.32Å; D159-R199 IonicContact OD2-CZ 2.58Å; D159-R199 IonicContact OD2-NH2 3.77Å; D159-R199 PolarHBondContact OD2-NH2 2.92Å; T195-R199 WeakPolarHBondContact O-CB 3.31Å; T195-R199 VanDerWaalsContact O-CG 3.27Å; T195-R199 WeakPolarHBondContact O-CG 3.5Å; T195-R199 PolarHBondContact O-N 2.81Å; R199-T203 WeakPolarHBondContact O-CB 3.13Å; R199-T203 VanDerWaalsContact O-CG2 3.3Å; R199-T203 WeakPolarHBondContact O-CG2 3Å; R199-T203 PolarHBondContact O-N 3.05Å; R199-T203 PolarHBondContact O-OG1 2.84Å
200	R	68.7	Low	63.2	Low	169 Å²	169	106 Å²	106	64%	0.638	51%	0.506	S	S	*	.	H	α-helix	trans	-62.7	-41.9	175.2	-76.4	168.3	179.6	-160.5	0.5	112.5	A196 E197 W198 T203 K204	A196-R200 WeakPolarHBondContact O-CB 3.29Å; A196-R200 WeakPolarHBondContact O-CG 3.18Å; A196-R200 PolarHBondContact O-N 3.42Å; E197-R200 CarbonylContact O-C 3.25Å; E197-R200 WeakPolarHBondContact O-CB 3.38Å; E197-R200 PolarHBondContact O-N 2.83Å; W198-R200 VanDerWaalsContact C-N 3.31Å; W198-R200 PolarHBondContact O-N 3.43Å; R200-T203 PolarHBondContact O-OG1 2.75Å; R200-K204 VanDerWaalsContact O-CB 3.29Å; R200-K204 WeakPolarHBondContact O-CB 3.5Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.33Å
201	R	68.5	Low	62.1	Low	103 Å²	103	109.9 Å²	109.9	39%	0.389	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-43.8	178.6	-70	172.6	-173.2	-167	8.7	111.6	E197 W198	E197-R201 VanDerWaalsContact O-CG 3.3Å; E197-R201 WeakPolarHBondContact O-CG 3.27Å; E197-R201 PolarHBondContact O-N 2.64Å; E197-R201 IonicContact OE1-CZ 2.65Å; E197-R201 IonicContact OE1-NE 2.8Å; E197-R201 PolarHBondContact OE1-NE 2.78Å; E197-R201 IonicContact OE1-NH2 2.83Å; E197-R201 PolarHBondContact OE1-NH2 3.36Å; E197-R201 IonicContact OE2-CZ 2.71Å; E197-R201 IonicContact OE2-NE 3.18Å; E197-R201 IonicContact OE2-NH2 2.84Å; E197-R201 PolarHBondContact OE2-NH2 3.26Å; W198-R201 PolarHBondContact O-N 3.28Å; W198-R201 VanDerWaalsContact O-N 3.1Å
202	V	64.4	Low	60.5	Low	45 Å²	45	111.8 Å²	111.8	27%	0.273	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-45.7	177.3	171.8	0	0	0	0	111.6	W198 L263	W198-V202 HydrophobicContact CD2-CG2 3.97Å; W198-V202 HydrophobicContact CE3-CG2 3.85Å; W198-V202 HydrophobicContact CH2-CG2 4.05Å; W198-V202 HydrophobicContact CZ2-CG2 4.13Å; W198-V202 HydrophobicContact CZ3-CG2 3.9Å; W198-V202 WeakPolarHBondContact O-CG2 3.43Å; W198-V202 PolarHBondContact O-N 3.3Å; V202-L263 HydrophobicContact CG1-CD1 4.28Å; V202-L263 HydrophobicContact CG2-CD1 4.27Å
203	T	61	Low	59.2	Low	75 Å²	75	119 Å²	119	46%	0.46	55%	0.552	S	S	.	*	H	α-helix	trans	-73.5	-36.8	-177.7	53.1	0	0	0	0	113.9	R199 R200 H205 R206	R199-T203 WeakPolarHBondContact O-CB 3.13Å; R199-T203 VanDerWaalsContact O-CG2 3.3Å; R199-T203 WeakPolarHBondContact O-CG2 3Å; R199-T203 PolarHBondContact O-N 3.05Å; R199-T203 PolarHBondContact O-OG1 2.84Å; R200-T203 PolarHBondContact O-OG1 2.75Å; T203-H205 PolarHBondContact O-N 3.17Å; T203-H205 VanDerWaalsContact O-N 3.15Å; T203-R206 PolarHBondContact O-N 2.72Å
204	K	57.1	Low	57.5	Low	149 Å²	149	121 Å²	121	65%	0.648	56%	0.555	S	S	*	*	H	α-helix	trans	-53.6	-36.7	-179.9	-85.9	175.1	179.5	-172.7	0	113	R200 R206 R207	R200-K204 VanDerWaalsContact O-CB 3.29Å; R200-K204 WeakPolarHBondContact O-CB 3.5Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.33Å; K204-R206 PolarHBondContact O-N 3.26Å; K204-R206 VanDerWaalsContact O-N 3.13Å; K204-R207 PolarHBondContact O-N 2.89Å
205	H	50.3	Low	55.9	Low	130 Å²	130	126.6 Å²	126.6	60%	0.602	58%	0.578	S	S	*	*	H	α-helix	trans	-62.4	-16.9	178.1	-105	-21.8	0	0	0	115.1	T203 K260	T203-H205 PolarHBondContact O-N 3.17Å; T203-H205 VanDerWaalsContact O-N 3.15Å; H205-K260 PolarHBondContact CD2-NZ 3.28Å; H205-K260 PolarHBondContact NE2-NZ 3.34Å
206	R	46.9	Very low	54.1	Low	197 Å²	197	130 Å²	130	74%	0.743	60%	0.603	S	S	*	*	H	α-helix	trans	-82.7	-27.5	176	-76.6	-166.9	178.4	-167.8	5.8	114.2	T203 K204	T203-R206 PolarHBondContact O-N 2.72Å; K204-R206 PolarHBondContact O-N 3.26Å; K204-R206 VanDerWaalsContact O-N 3.13Å
207	R	49.5	Very low	52.3	Low	219 Å²	219	133.8 Å²	133.8	83%	0.826	63%	0.627	S	S	*	*	H	α-helix	trans	-81	-38.5	-172.6	-110.5	175.6	173	151.3	-3.1	113.4	K204 R209	K204-R207 PolarHBondContact O-N 2.89Å; R207-R209 PolarHBondContact O-N 2.78Å
208	S	48.6	Very low	50.6	Low	90 Å²	90	134.4 Å²	134.4	63%	0.629	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	7.2	-171.2	-42.5	0	0	0	0	116.7
209	R	49	Very low	49.1	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-5.5	-178.7	-87.5	-175.1	165.4	179.9	-4.7	115.7	R207	R207-R209 PolarHBondContact O-N 2.78Å
210	S	43.6	Very low	47.3	Very low	108 Å²	108	138 Å²	138	76%	0.755	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-19	-178.7	-57.5	0	0	0	0	114.3
211	T	46.3	Very low	45.6	Very low	95 Å²	95	135.2 Å²	135.2	58%	0.583	70%	0.702	S	S	*	*	S	Bend	trans	-94.4	-20.8	-176.8	38.6	0	0	0	0	114.7	R213	T211-R213 PolarHBondContact O-N 3.38Å
212	S	41.8	Very low	44	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	38.3	-174.1	-166.7	0	0	0	0	114.2
213	R	45	Very low	42.3	Very low	237 Å²	237	138.3 Å²	138.3	89%	0.894	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144	9.8	177.3	-64.1	-166.1	-174.4	-159.4	2.3	114.6	T211	T211-R213 PolarHBondContact O-N 3.38Å
214	R	39.6	Very low	41	Very low	218 Å²	218	141.1 Å²	141.1	82%	0.823	76%	0.758	S	S	*	*			trans	-143.7	16.8	-168.3	-112	-177.2	-174.6	-166.4	-0.5	117.7	S216	R214-S216 PolarHBondContact O-OG 3.02Å
215	F	38.9	Very low	39.8	Very low	189 Å²	189	139.2 Å²	139.2	83%	0.829	76%	0.764	S	S	*	*			trans	-127.2	110.2	162	-63	-81.6	0	0	0	105.4
216	S	34.6	Very low	38.9	Very low	91 Å²	91	138.2 Å²	138.2	64%	0.636	77%	0.771	S	S	*	*			cis	81.6	92.6	37.8	-47.2	0	0	0	0	112.8	R214 A218	R214-S216 PolarHBondContact O-OG 3.02Å; S216-A218 PolarHBondContact O-N 3.27Å
217	S	33.4	Very low	38.2	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	77%	0.773	S	S	*	*			trans	27.9	87.7	134.8	57.4	0	0	0	0	117.4
218	A	38	Very low	37.5	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	77%	0.768	S	S	*	*			trans	-143.5	131.7	153.9	0	0	0	0	0	107.4	S216	S216-A218 PolarHBondContact O-N 3.27Å
219	S	36	Very low	36.6	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	78%	0.782	S	S	*	*			trans	-109.2	153.5	-169.9	-58.2	0	0	0	0	112
220	S	32.5	Very low	35.7	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	79%	0.785	S	S	*	*			trans	53.7	111.8	150.6	-53.3	0	0	0	0	119.4
221	S	33.4	Very low	35.1	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	79%	0.785	S	S	*	*				153.1	164.6	103.9	59.1	0	0	0	0	114.2
222	S	33.9	Very low	34.4	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	79%	0.792	S	S	*	*			trans	43.5	100	163.9	53.4	0	0	0	0	119.4
223	S	28.1	Very low	33.9	Very low	107 Å²	107	138 Å²	138	75%	0.748	80%	0.798	S	S	*	*			trans	-20.3	140	143.3	51.6	0	0	0	0	118
224	V	35.1	Very low	33.2	Very low	135 Å²	135	132 Å²	132	82%	0.818	79%	0.793	S	S	*	*				-164.1	153.1	107.9	-93.5	0	0	0	0	112.5
225	S	30.9	Very low	32.7	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	79%	0.793	S	S	*	*			trans	71.1	135.6	149.8	-64.1	0	0	0	0	123.6
226	S	32.6	Very low	32.2	Very low	109 Å²	109	122.3 Å²	122.3	76%	0.762	79%	0.787	S	S	*	*			trans	82.2	71.4	141.6	-60.2	0	0	0	0	122.6
227	S	31.8	Very low	32.2	Very low	111 Å²	111	123.2 Å²	123.2	78%	0.776	80%	0.8	S	S	*	*				90.9	153.8	123.1	86.1	0	0	0	0	121.9
228	S	33.6	Very low	32.1	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	80%	0.797	S	S	*	*			trans	74.5	64.5	156	-56.8	0	0	0	0	120
229	R	31.1	Very low	31.9	Very low	242 Å²	242	122 Å²	122	91%	0.913	79%	0.786	S	S	*	*			trans	54.7	110.1	132.3	-71.6	175.4	156	168.8	-6.7	118.8
230	S	29.8	Very low	31.8	Very low	132 Å²	132	123.3 Å²	123.3	92%	0.923	78%	0.784	S	S	*	*			trans	-147.3	90.9	151.7	-79.2	0	0	0	0	110.6
231	S	29.9	Very low	32.1	Very low	108 Å²	108	124 Å²	124	76%	0.755	78%	0.777	S	S	*	*			trans	-153.6	169.9	175.6	58.8	0	0	0	0	109.9
232	S	32.2	Very low	32.4	Very low	106 Å²	106	123.9 Å²	123.9	74%	0.741	78%	0.777	S	S	*	*			trans	75.1	108.1	-157.5	-54	0	0	0	0	111.7
233	R	30.6	Very low	32.7	Very low	235 Å²	235	121.6 Å²	121.6	89%	0.887	76%	0.761	S	S	*	*				71.7	142.3	55.8	-59.2	173.5	82.2	164.9	5.4	112.8
234	S	31.1	Very low	33.4	Very low	112 Å²	112	122.5 Å²	122.5	78%	0.783	76%	0.757	S	S	*	*	S	Bend	trans	-59.3	161.7	168.3	33.2	0	0	0	0	112.6
235	S	28.9	Very low	33.8	Very low	118 Å²	118	119 Å²	119	83%	0.825	74%	0.742	S	S	*	*			trans	76.2	158.6	-175.6	78.7	0	0	0	0	115.9
236	A	29.1	Very low	34.3	Very low	85 Å²	85	116.7 Å²	116.7	70%	0.702	73%	0.726	S	S	*	*			trans	70.9	95.6	-174.1	0	0	0	0	0	117.7
237	A	33.3	Very low	35	Very low	110 Å²	110	112.9 Å²	112.9	91%	0.909	70%	0.698	S	S	*	*			trans	-135.6	26.6	150.4	0	0	0	0	0	110.2
238	S	32.8	Very low	35.9	Very low	113 Å²	113	109.5 Å²	109.5	79%	0.79	68%	0.677	S	S	*	*	S	Bend	trans	-123.3	44.1	-168.6	58.8	0	0	0	0	111.1
239	S	32.2	Very low	36.9	Very low	85 Å²	85	108.3 Å²	108.3	59%	0.594	67%	0.665	S	S	*	*	S	Bend	trans	-162.6	143.9	171.1	46.2	0	0	0	0	110.2
240	N	35.4	Very low	38	Very low	138 Å²	138	99.5 Å²	99.5	74%	0.738	64%	0.64	S	S	*	*			trans	64.3	51	160.6	-52.4	4.8	0	0	0	117.8	S242	N240-S242 PolarHBondContact O-N 3.13Å
241	I	38.5	Very low	39.2	Very low	127 Å²	127	97.1 Å²	97.1	65%	0.651	61%	0.611	S	S	*	*			trans	-83.5	50.5	157.2	49.5	169.1	0	0	0	111.8	S243 V247	I241-S243 PolarHBondContact O-N 3.21Å; I241-S243 VanDerWaalsContact O-N 3.1Å; I241-V247 HydrophobicContact CB-CG2 4.05Å; I241-V247 HydrophobicContact CD1-CG2 4.45Å
242	S	39.5	Very low	40.5	Very low	111 Å²	111	95.2 Å²	95.2	78%	0.776	59%	0.589	S	S	*	*			trans	-81.6	27.7	-174.4	49.3	0	0	0	0	114.8	N240	N240-S242 PolarHBondContact O-N 3.13Å
243	S	39.8	Very low	42	Very low	56 Å²	56	96 Å²	96	39%	0.392	58%	0.581	S	S	.	*	S	Bend	trans	-157.4	137.7	175.3	179.1	0	0	0	0	111.7	I241 A245 S246 V247	I241-S243 PolarHBondContact O-N 3.21Å; I241-S243 VanDerWaalsContact O-N 3.1Å; S243-A245 PolarHBondContact O-N 3.12Å; S243-A245 PolarHBondContact OG-N 2.77Å; S243-S246 PolarHBondContact O-N 2.72Å; S243-V247 PolarHBondContact O-N 3.32Å
244	L	43	Very low	43.6	Very low	127 Å²	127	88.4 Å²	88.4	67%	0.665	56%	0.561	S	S	*	*	H	α-helix	trans	-52.9	-34	169.7	-71.8	170.4	0	0	0	112.1	L177 A248	L177-L244 HydrophobicContact CD1-CD2 3.73Å; L244-A248 WeakPolarHBondContact O-CB 3.22Å; L244-A248 PolarHBondContact O-N 2.74Å
245	A	44.2	Very low	44.7	Very low	62 Å²	62	84 Å²	84	51%	0.512	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-39.9	176.4	0	0	0	0	0	112.1	S243 A248 V249	S243-A245 PolarHBondContact O-N 3.12Å; S243-A245 PolarHBondContact OG-N 2.77Å; A245-A248 PolarHBondContact O-N 2.94Å; A245-V249 WeakPolarHBondContact O-CB 3.18Å; A245-V249 VanDerWaalsContact O-CG2 3.26Å; A245-V249 WeakPolarHBondContact O-CG2 3.24Å; A245-V249 PolarHBondContact O-N 3.29Å
246	S	40.7	Very low	46.3	Very low	59 Å²	59	79.5 Å²	79.5	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-39.8	177.2	-60.5	0	0	0	0	112.1	S243 V249 S250	S243-S246 PolarHBondContact O-N 2.72Å; S246-V249 PolarHBondContact O-N 3.43Å; S246-S250 WeakPolarHBondContact O-CB 3.18Å; S246-S250 PolarHBondContact O-N 3.25Å; S246-S250 PolarHBondContact O-OG 2.79Å
247	V	46.3	Very low	48.1	Very low	30 Å²	30	82 Å²	82	18%	0.182	50%	0.495	C	S	.	.	H	α-helix	trans	-62	-51	170.4	178.5	0	0	0	0	109.7	L177 I241 S243 V249 S250 W251	L177-V247 HydrophobicContact CD1-CG1 4.28Å; L177-V247 HydrophobicContact CD2-CG1 4.4Å; I241-V247 HydrophobicContact CB-CG2 4.05Å; I241-V247 HydrophobicContact CD1-CG2 4.45Å; S243-V247 PolarHBondContact O-N 3.32Å; V247-V249 VanDerWaalsContact C-N 3.3Å; V247-V249 PolarHBondContact O-N 2.7Å; V247-S250 PolarHBondContact O-N 2.93Å; V247-S250 PolarHBondContact O-OG 3.14Å; V247-S250 VanDerWaalsContact O-OG 3.07Å; V247-W251 WeakPolarHBondContact O-CB 3.04Å; V247-W251 PolarHBondContact O-N 3.48Å
248	A	51.5	Low	49.6	Very low	40 Å²	40	79.7 Å²	79.7	33%	0.331	48%	0.476	S	S	.	.	H	α-helix	trans	-60.6	-33.7	178.3	0	0	0	0	0	113.4	L244 A245 K252	L244-A248 WeakPolarHBondContact O-CB 3.22Å; L244-A248 PolarHBondContact O-N 2.74Å; A245-A248 PolarHBondContact O-N 2.94Å; A248-K252 WeakPolarHBondContact O-CB 3.13Å; A248-K252 WeakPolarHBondContact O-CD 3.37Å; A248-K252 WeakPolarHBondContact O-CG 2.99Å; A248-K252 PolarHBondContact O-N 2.89Å
249	V	55.6	Low	50.8	Low	78 Å²	78	75.2 Å²	75.2	47%	0.473	44%	0.443	S	S	.	.	H	α-helix	trans	-74.3	-47.5	177.1	166.7	0	0	0	0	111.9	A245 S246 V247 W251 K252 E253	A245-V249 WeakPolarHBondContact O-CB 3.18Å; A245-V249 VanDerWaalsContact O-CG2 3.26Å; A245-V249 WeakPolarHBondContact O-CG2 3.24Å; A245-V249 PolarHBondContact O-N 3.29Å; S246-V249 PolarHBondContact O-N 3.43Å; V247-V249 VanDerWaalsContact C-N 3.3Å; V247-V249 PolarHBondContact O-N 2.7Å; V249-W251 VanDerWaalsContact C-N 3.32Å; V249-W251 PolarHBondContact O-N 3.05Å; V249-K252 PolarHBondContact O-N 2.76Å; V249-E253 PolarHBondContact O-N 2.71Å
250	S	53.6	Low	52.3	Low	57 Å²	57	75.3 Å²	75.3	40%	0.399	43%	0.432	S	S	.	.	H	α-helix	trans	-66.1	-34.8	177.1	56.7	0	0	0	0	112.2	S246 V247 E253 T254	S246-S250 WeakPolarHBondContact O-CB 3.18Å; S246-S250 PolarHBondContact O-N 3.25Å; S246-S250 PolarHBondContact O-OG 2.79Å; V247-S250 PolarHBondContact O-N 2.93Å; V247-S250 PolarHBondContact O-OG 3.14Å; V247-S250 VanDerWaalsContact O-OG 3.07Å; S250-E253 PolarHBondContact O-N 2.74Å; S250-T254 WeakPolarHBondContact O-CB 3.49Å; S250-T254 PolarHBondContact O-N 3.31Å; S250-T254 PolarHBondContact O-OG1 2.83Å
251	W	54	Low	53.5	Low	82 Å²	82	72.6 Å²	72.6	31%	0.311	42%	0.422	S	S	.	.	H	α-helix	trans	-72.1	-40.8	171.2	-155.9	-104.3	0	0	0	111.8	I172 E176 V247 V249 E253 T254 C255	I172-W251 HydrophobicContact CG2-CZ2 3.8Å; E176-W251 VanDerWaalsContact OE2-CH2 3.3Å; E176-W251 WeakPolarHBondContact OE2-CH2 3.47Å; V247-W251 WeakPolarHBondContact O-CB 3.04Å; V247-W251 PolarHBondContact O-N 3.48Å; V249-W251 VanDerWaalsContact C-N 3.32Å; V249-W251 PolarHBondContact O-N 3.05Å; W251-E253 VanDerWaalsContact C-N 3.27Å; W251-E253 PolarHBondContact O-N 2.91Å; W251-T254 CarbonylContact O-C 3.56Å; W251-T254 PolarHBondContact O-N 3.48Å; W251-C255 PolarHBondContact NE1-SG 2.99Å; W251-C255 VanDerWaalsContact NE1-SG 3.42Å; W251-C255 WeakPolarHBondContact O-CB 3.2Å; W251-C255 PolarHBondContact O-N 3.26Å; W251-C255 PolarHBondContact O-SG 2.83Å
252	K	58.2	Low	54.2	Low	68 Å²	68	75.8 Å²	75.8	30%	0.296	43%	0.428	S	S	.	.	H	α-helix	trans	-58.2	-36.9	171.1	-82.5	165.7	178.9	172.8	0	112	E194 A248 V249 A256	E194-K252 IonicContact OE1-NZ 3.64Å; E194-K252 PolarHBondContact OE1-NZ 3.44Å; A248-K252 WeakPolarHBondContact O-CB 3.13Å; A248-K252 WeakPolarHBondContact O-CD 3.37Å; A248-K252 WeakPolarHBondContact O-CG 2.99Å; A248-K252 PolarHBondContact O-N 2.89Å; V249-K252 PolarHBondContact O-N 2.76Å; K252-A256 WeakPolarHBondContact O-CB 3.31Å; K252-A256 PolarHBondContact O-N 3.12Å
253	E	62.8	Low	54.9	Low	124 Å²	124	73.4 Å²	73.4	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-69.9	-43.3	171.2	-172.5	175.6	172.3	0	0	112.1	V249 S250 W251 A256 K257	V249-E253 PolarHBondContact O-N 2.71Å; S250-E253 PolarHBondContact O-N 2.74Å; W251-E253 VanDerWaalsContact C-N 3.27Å; W251-E253 PolarHBondContact O-N 2.91Å; E253-A256 CarbonylContact O-C 3.57Å; E253-A256 PolarHBondContact O-N 2.86Å; E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 3.15Å
254	T	64.4	Low	55.2	Low	74 Å²	74	79.8 Å²	79.8	45%	0.454	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-44.6	179.8	-60.2	0	0	0	0	111.8	S250 W251 K257 A258	S250-T254 WeakPolarHBondContact O-CB 3.49Å; S250-T254 PolarHBondContact O-N 3.31Å; S250-T254 PolarHBondContact O-OG1 2.83Å; W251-T254 CarbonylContact O-C 3.56Å; W251-T254 PolarHBondContact O-N 3.48Å; T254-K257 CarbonylContact O-C 3.58Å; T254-K257 WeakPolarHBondContact O-CA 3.27Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 2.83Å; T254-K257 VanDerWaalsContact O-N 3.12Å; T254-A258 WeakPolarHBondContact O-CB 3.29Å; T254-A258 PolarHBondContact O-N 3.47Å
255	C	55	Low	55	Low	19 Å²	19	77.8 Å²	77.8	13%	0.128	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-47.9	170.4	-65.5	0	0	0	0	111.2	V169 W251 K257 A258 M259	V169-C255 HydrophobicContact CG2-CB 4.09Å; V169-C255 VanDerWaalsContact CG2-SG 3.52Å; W251-C255 PolarHBondContact NE1-SG 2.99Å; W251-C255 VanDerWaalsContact NE1-SG 3.42Å; W251-C255 WeakPolarHBondContact O-CB 3.2Å; W251-C255 PolarHBondContact O-N 3.26Å; W251-C255 PolarHBondContact O-SG 2.83Å; C255-K257 PolarHBondContact O-N 3.14Å; C255-K257 VanDerWaalsContact O-N 3.12Å; C255-A258 CarbonylContact O-C 3.57Å; C255-A258 PolarHBondContact O-N 3.12Å; C255-A258 VanDerWaalsContact O-N 3.1Å; C255-M259 WeakPolarHBondContact O-CB 3.25Å; C255-M259 WeakPolarHBondContact O-CG 3.4Å; C255-M259 PolarHBondContact O-N 2.83Å
256	A	62.7	Low	55.1	Low	25 Å²	25	80.7 Å²	80.7	21%	0.207	43%	0.432	C	S	.	.	H	α-helix	trans	-59.6	-26.7	173.8	0	0	0	0	0	112.6	K252 E253 K260	K252-A256 WeakPolarHBondContact O-CB 3.31Å; K252-A256 PolarHBondContact O-N 3.12Å; E253-A256 CarbonylContact O-C 3.57Å; E253-A256 PolarHBondContact O-N 2.86Å; A256-K260 VanDerWaalsContact O-CE 3.25Å; A256-K260 WeakPolarHBondContact O-CE 3.35Å; A256-K260 VanDerWaalsContact O-CG 3.28Å; A256-K260 WeakPolarHBondContact O-CG 3.1Å; A256-K260 PolarHBondContact O-N 2.76Å
257	K	67.4	Low	55	Low	138 Å²	138	89.2 Å²	89.2	60%	0.6	46%	0.455	S	S	*	.	H	α-helix	trans	-81.2	-34.4	176.2	-164	173.9	-177.2	176	0	112.6	E253 T254 C255	E253-K257 VanDerWaalsContact O-CB 3.22Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 3.15Å; T254-K257 CarbonylContact O-C 3.58Å; T254-K257 WeakPolarHBondContact O-CA 3.27Å; T254-K257 WeakPolarHBondContact O-CB 3.47Å; T254-K257 PolarHBondContact O-N 2.83Å; T254-K257 VanDerWaalsContact O-N 3.12Å; C255-K257 PolarHBondContact O-N 3.14Å; C255-K257 VanDerWaalsContact O-N 3.12Å
258	A	63.2	Low	54.5	Low	61 Å²	61	98.8 Å²	98.8	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-80.4	-25.8	174	0	0	0	0	0	113.5	T254 C255 P261	T254-A258 WeakPolarHBondContact O-CB 3.29Å; T254-A258 PolarHBondContact O-N 3.47Å; C255-A258 CarbonylContact O-C 3.57Å; C255-A258 PolarHBondContact O-N 3.12Å; C255-A258 VanDerWaalsContact O-N 3.1Å; A258-P261 WeakPolarHBondContact O-CD 3.38Å; A258-P261 VanDerWaalsContact O-CG 3.23Å; A258-P261 WeakPolarHBondContact O-CG 3.43Å
259	M	59	Low	53.8	Low	19 Å²	19	105.9 Å²	105.9	9%	0.094	51%	0.514	C	S	.	.	S	Bend	trans	-83.6	-13.7	175	-68.9	176	71.1	0	0	113.1	C165 W198 C255 P261 Y262 L263	C165-M259 HydrophobicContact CB-CE 3.39Å; C165-M259 HydrophobicContact CB-SD 4.1Å; C165-M259 VanDerWaalsContact SG-CE 3.54Å; W198-M259 HydrophobicContact CH2-CE 3.98Å; W198-M259 HydrophobicContact CZ2-CE 3.65Å; W198-M259 HydrophobicContact CZ2-SD 4.1Å; C255-M259 WeakPolarHBondContact O-CB 3.25Å; C255-M259 WeakPolarHBondContact O-CG 3.4Å; C255-M259 PolarHBondContact O-N 2.83Å; M259-P261 VanDerWaalsContact C-N 3.3Å; M259-Y262 PolarHBondContact O-N 3.07Å; M259-L263 HydrophobicContact CB-CD1 4.03Å; M259-L263 HydrophobicContact CB-CG 4.2Å; M259-L263 HydrophobicContact CE-CD1 4.11Å; M259-L263 HydrophobicContact CE-CD2 4.19Å; M259-L263 HydrophobicContact CE-CG 4.18Å; M259-L263 PolarHBondContact O-N 2.72Å
260	K	63	Low	52.9	Low	86 Å²	86	105.7 Å²	105.7	37%	0.374	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.1	173.6	-88.6	161.7	-152.4	-179.8	0	115.5	H205 A256 R264	H205-K260 PolarHBondContact CD2-NZ 3.28Å; H205-K260 PolarHBondContact NE2-NZ 3.34Å; A256-K260 VanDerWaalsContact O-CE 3.25Å; A256-K260 WeakPolarHBondContact O-CE 3.35Å; A256-K260 VanDerWaalsContact O-CG 3.28Å; A256-K260 WeakPolarHBondContact O-CG 3.1Å; A256-K260 PolarHBondContact O-N 2.76Å; K260-R264 WeakPolarHBondContact O-CB 3.41Å
261	P	62.2	Low	52.4	Low	82 Å²	82	112.3 Å²	112.3	53%	0.532	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-35	166.9	23	-34.3	0	0	0	114.8	A258 M259	A258-P261 WeakPolarHBondContact O-CD 3.38Å; A258-P261 VanDerWaalsContact O-CG 3.23Å; A258-P261 WeakPolarHBondContact O-CG 3.43Å; M259-P261 VanDerWaalsContact C-N 3.3Å
262	Y	52.1	Low	51.6	Low	194 Å²	194	118.3 Å²	118.3	76%	0.761	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-47.8	-174.8	-60.5	-85.1	0	0	0	112.6	M259 R264	M259-Y262 PolarHBondContact O-N 3.07Å; Y262-R264 PolarHBondContact O-N 3.3Å; Y262-R264 VanDerWaalsContact O-N 3.1Å
263	L	53.3	Low	50.5	Low	60 Å²	60	117.1 Å²	117.1	31%	0.314	57%	0.569	S	S	.	*	S	Bend	trans	-67.4	-7.5	172.7	-61.3	175.2	0	0	0	113.1	W198 V202 M259 S265	W198-L263 HydrophobicContact CH2-CD1 3.72Å; W198-L263 HydrophobicContact CH2-CD2 4.12Å; W198-L263 HydrophobicContact CZ2-CD1 4.11Å; V202-L263 HydrophobicContact CG1-CD1 4.28Å; V202-L263 HydrophobicContact CG2-CD1 4.27Å; M259-L263 HydrophobicContact CB-CD1 4.03Å; M259-L263 HydrophobicContact CB-CG 4.2Å; M259-L263 HydrophobicContact CE-CD1 4.11Å; M259-L263 HydrophobicContact CE-CD2 4.19Å; M259-L263 HydrophobicContact CE-CG 4.18Å; M259-L263 PolarHBondContact O-N 2.72Å; L263-S265 VanDerWaalsContact C-N 3.34Å; L263-S265 PolarHBondContact O-N 2.73Å
264	R	46.7	Very low	49.4	Very low	191 Å²	191	114.1 Å²	114.1	72%	0.721	56%	0.562	S	S	*	*	S	Bend	trans	-90.5	76.6	174.5	-177	-176.7	-173.9	105.3	-2.5	109	K260 Y262	K260-R264 WeakPolarHBondContact O-CB 3.41Å; Y262-R264 PolarHBondContact O-N 3.3Å; Y262-R264 VanDerWaalsContact O-N 3.1Å
265	S	40	Very low	48.4	Very low	85 Å²	85	119.2 Å²	119.2	59%	0.594	57%	0.573	S	S	*	*			trans	-22.8	119.7	163.4	172.1	0	0	0	0	111.4	L263 R267	L263-S265 VanDerWaalsContact C-N 3.34Å; L263-S265 PolarHBondContact O-N 2.73Å; S265-R267 VanDerWaalsContact C-N 3.26Å; S265-R267 PolarHBondContact O-N 2.99Å
266	P	45.2	Very low	47.5	Very low	123 Å²	123	124.9 Å²	124.9	80%	0.799	60%	0.597	S	S	*	*			trans	-64	69.3	-171.4	-28.9	37.8	0	0	0	116.6	R268	P266-R268 PolarHBondContact O-N 3.07Å
267	R	39.6	Very low	46.4	Very low	237 Å²	237	127.5 Å²	127.5	89%	0.894	61%	0.614	S	S	*	*			trans	-68.1	70.6	158.8	-88.9	-166.9	166.4	-155.7	-3.2	110.5	S265 H269	S265-R267 VanDerWaalsContact C-N 3.26Å; S265-R267 PolarHBondContact O-N 2.99Å; R267-H269 PolarHBondContact O-N 3.09Å
268	R	35	Very low	45	Very low	231 Å²	231	126.5 Å²	126.5	87%	0.872	62%	0.624	S	S	*	*	S	Bend	trans	27.9	71	154.6	-62	-177.5	174.5	-170.1	-1.7	117	P266	P266-R268 PolarHBondContact O-N 3.07Å
269	H	37.6	Very low	43.7	Very low	190 Å²	190	127.2 Å²	127.2	88%	0.88	63%	0.63	S	S	*	*			trans	-153.3	116.3	153.2	-94.4	-74.4	0	0	0	109.9	R267	R267-H269 PolarHBondContact O-N 3.09Å
270	G	36.8	Very low	42.7	Very low	73 Å²	73	133 Å²	133	75%	0.753	67%	0.667	S	S	*	*			trans	-123.8	-172.8	-174.3	0	0	0	0	0	114.6
271	K	41.7	Very low	41.4	Very low	196 Å²	196	136 Å²	136	85%	0.852	69%	0.687	S	S	*	*			trans	85.7	87.2	-178.7	-54.7	-174.7	179.9	-176.5	0	116.5
272	Y	37.6	Very low	40.2	Very low	209 Å²	209	136.7 Å²	136.7	82%	0.82	69%	0.694	S	S	*	*			trans	-70.1	155.6	130.7	-91	-111.9	0	0	0	108.2
273	D	36.1	Very low	39.4	Very low	42 Å²	42	139.1 Å²	139.1	23%	0.225	70%	0.702	C	S	.	*			cis	75.2	137.4	36.6	-56.5	13.3	0	0	0	110.4	P706 R707	D273-P706 HydrophobicContact CB-CB 3.9Å; D273-P706 WeakPolarHBondContact OD1-CA 3.35Å; D273-P706 WeakPolarHBondContact OD1-CB 3.43Å; D273-R707 VanDerWaalsContact OD1-CG 3.32Å; D273-R707 WeakPolarHBondContact OD1-CG 3.25Å; D273-R707 PolarHBondContact OD1-N 2.96Å; D273-R707 IonicContact OD1-NE 3.49Å; D273-R707 IonicContact OD2-CZ 3.17Å; D273-R707 VanDerWaalsContact OD2-CZ 3.31Å; D273-R707 IonicContact OD2-NE 2.67Å; D273-R707 PolarHBondContact OD2-NE 2.84Å; D273-R707 IonicContact OD2-NH2 2.79Å; D273-R707 PolarHBondContact OD2-NH2 2.77Å
274	S	38.2	Very low	38.5	Very low	61 Å²	61	141.6 Å²	141.6	43%	0.427	72%	0.724	S	S	.	*			cis	-170.4	170.2	-0.9	-87.6	0	0	0	0	110.7	N703 P706	S274-N703 CarbonylContact C-O 3.56Å; S274-N703 VanDerWaalsContact C-O 3.26Å; S274-N703 VanDerWaalsContact CA-O 3.32Å; S274-N703 WeakPolarHBondContact CA-O 3.26Å; S274-P706 WeakPolarHBondContact OG-CB 3.22Å
275	R	43.5	Very low	38	Very low	182 Å²	182	137.2 Å²	137.2	69%	0.687	72%	0.723	S	S	*	*			trans	166.1	-173	155.7	-92	162.3	-168.3	-114.4	4.1	108.2	N703 R704	R275-N703 HydrophobicContact CB-CB 3.45Å; R275-N703 VanDerWaalsContact CB-CB 3.45Å; R275-N703 VanDerWaalsContact CB-CG 3.48Å; R275-N703 PolarHBondContact N-O 2.97Å; R275-N703 CarbonylContact O-C 3.56Å; R275-R704 WeakPolarHBondContact O-CA 3.37Å; R275-R704 PolarHBondContact O-N 3.02Å
276	H	37.5	Very low	37.9	Very low	138 Å²	138	140.9 Å²	140.9	64%	0.639	74%	0.735	S	S	*	*			cis	76.5	139.2	19.5	-57.6	-70	0	0	0	116.7	N703	H276-N703 WeakPolarHBondContact O-CB 3.35Å; H276-N703 PolarHBondContact O-ND2 3.09Å
277	S	37.8	Very low	37.4	Very low	79 Å²	79	140.5 Å²	140.5	55%	0.552	74%	0.736	S	S	*	*			cis	-165.3	-177.8	-11.8	-100.5	0	0	0	0	111.4
278	S	38.6	Very low	37.3	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	73%	0.733	S	S	*	*			trans	93.4	153.2	150	-58.3	0	0	0	0	119.4
279	A	36.8	Very low	37.1	Very low	76 Å²	76	131 Å²	131	63%	0.628	73%	0.729	S	S	*	*			cis	-173.7	176.8	-25.2	0	0	0	0	0	111.4
280	T	38.2	Very low	36.9	Very low	140 Å²	140	126 Å²	126	86%	0.859	73%	0.728	S	S	*	*			trans	67.9	155.5	158.9	64.1	0	0	0	0	120.5
281	N	35.8	Very low	36.8	Very low	150 Å²	150	127.9 Å²	127.9	80%	0.802	73%	0.73	S	S	*	*			cis	-168.4	168.9	-40.1	-152.9	25.7	0	0	0	111.8
282	S	36	Very low	36.4	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	72%	0.724	S	S	*	*			trans	92.3	139.9	150.1	-53.2	0	0	0	0	123.8
283	R	35.2	Very low	36.2	Very low	246 Å²	246	125.1 Å²	125.1	93%	0.928	73%	0.728	S	S	*	*			trans	70.1	147.5	161.2	-75.7	177.8	166	168.9	-6.7	118.6
284	S	35.6	Very low	36.4	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	75%	0.752	S	S	*	*			cis	-158.2	179.4	-6.2	41.8	0	0	0	0	112.8
285	S	35.6	Very low	36.3	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	78%	0.775	S	S	*	*			trans	-46	155.3	-174.8	-42	0	0	0	0	119.4
286	D	38.4	Very low	35.8	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	77%	0.774	S	S	*	*				-176.4	173.5	99.7	-86.7	-23.4	0	0	0	112.3
287	S	33.4	Very low	35.9	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	78%	0.775	S	S	*	*			trans	-112.6	151.4	-172.1	-53.8	0	0	0	0	112.1
288	D	37.4	Very low	35.8	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	79%	0.789	S	S	*	*				-172.3	175.9	116.5	-128.5	-46.7	0	0	0	115.8
289	S	31.6	Very low	36	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	79%	0.786	S	S	*	*			trans	-84.6	164	-167.8	-45.5	0	0	0	0	114.9
290	G	34.1	Very low	36	Very low	83 Å²	83	139.7 Å²	139.7	86%	0.856	80%	0.796	S	S	*	*			trans	156.9	144.8	162.5	0	0	0	0	0	115.6
291	S	33.8	Very low	35.7	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	79%	0.792	S	S	*	*			trans	-147.5	-173.7	179.7	74.2	0	0	0	0	112.9
292	C	32.5	Very low	35.7	Very low	109 Å²	109	135.2 Å²	135.2	74%	0.736	79%	0.794	S	S	*	*			trans	74.9	124	178	-61.9	0	0	0	0	115.7
293	R	35	Very low	35.5	Very low	238 Å²	238	136.5 Å²	136.5	90%	0.898	80%	0.803	S	S	*	*				84.5	110.3	57.2	-88.1	-170.7	163.8	-152.9	-0.5	114.7
294	S	38.8	Very low	35.4	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	79%	0.794	S	S	*	*			trans	-170.5	136.9	133.7	-88.1	0	0	0	0	110.5
295	R	36.2	Very low	35.6	Very low	241 Å²	241	129 Å²	129	91%	0.909	79%	0.793	S	S	*	*				56	133.3	92.6	-50.2	172.9	91.2	173.4	5.9	111.8
296	S	33.8	Very low	35.6	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	80%	0.8	S	S	*	*			cis	-153.1	172.6	25.2	-166.1	0	0	0	0	108.6
297	S	38.6	Very low	35.4	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	80%	0.8	S	S	*	*			cis	-169	143.3	45.1	-74.6	0	0	0	0	115.3
298	Y	36.1	Very low	35.4	Very low	213 Å²	213	131 Å²	131	84%	0.835	80%	0.799	S	S	*	*			trans	42.1	128.2	152.9	-56.3	-63.1	0	0	0	124.1
299	P	43.3	Very low	35.2	Very low	117 Å²	117	127.9 Å²	127.9	76%	0.76	79%	0.794	S	S	*	*			trans	-110.4	161.8	164.5	40	-31.8	0	0	0	114.6
300	T	36.5	Very low	35.2	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	80%	0.798	S	S	*	*			trans	-171.9	110.2	158.4	-74.4	0	0	0	0	105.2
301	A	32.6	Very low	35.4	Very low	94 Å²	94	134.1 Å²	134.1	78%	0.777	80%	0.795	S	S	*	*				87.2	149.3	63.4	0	0	0	0	0	114.2
302	A	34.9	Very low	35.5	Very low	102 Å²	102	134 Å²	134	84%	0.843	79%	0.786	S	S	*	*			trans	79.4	134.5	171.3	0	0	0	0	0	121.7
303	S	32.3	Very low	35.6	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	79%	0.79	S	S	*	*			trans	70.6	100.7	139.7	-150.9	0	0	0	0	123.7
304	G	32.2	Very low	35.6	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	79%	0.785	S	S	*	*			trans	79.6	175.5	135.8	0	0	0	0	0	119.9
305	V	39.8	Very low	35.5	Very low	126 Å²	126	138 Å²	138	76%	0.764	79%	0.793	S	S	*	*			cis	-161.7	146.7	-18.3	121.2	0	0	0	0	109.4
306	R	36.6	Very low	35.4	Very low	223 Å²	223	130.6 Å²	130.6	84%	0.842	78%	0.779	S	S	*	*			trans	64.8	150.4	173.9	-73.3	164.3	-178.4	-147.9	-2.3	116
307	S	34.3	Very low	35.5	Very low	121 Å²	121	132.3 Å²	132.3	85%	0.846	77%	0.771	S	S	*	*			cis	78.1	133.4	34.2	-47.9	0	0	0	0	112.8
308	G	33.2	Very low	35.4	Very low	76 Å²	76	137.7 Å²	137.7	78%	0.784	78%	0.777	S	S	*	*			cis	-169	-148.9	-0.8	0	0	0	0	0	107.2
309	A	32.6	Very low	35.9	Very low	90 Å²	90	130.3 Å²	130.3	74%	0.744	77%	0.766	S	S	*	*			cis	-177	126.1	-37.2	0	0	0	0	0	109.2
310	M	32.9	Very low	35.7	Very low	176 Å²	176	129.6 Å²	129.6	87%	0.867	77%	0.77	S	S	*	*			trans	68.4	171.8	159.3	-53.1	-171.6	74.6	0	0	120.1
311	N	37.9	Very low	35.8	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	77%	0.766	S	S	*	*			trans	73.9	149.2	175.1	-53	-7.1	0	0	0	116.9
312	D	35.5	Very low	36.3	Very low	110 Å²	110	131.1 Å²	131.1	59%	0.588	77%	0.768	S	S	*	*			cis	-157	171.3	-40.4	-151.5	-24.6	0	0	0	108.2
313	R	35.2	Very low	36.5	Very low	218 Å²	218	135.3 Å²	135.3	82%	0.823	77%	0.769	S	S	*	*			trans	2.4	118.8	168.6	-63.8	144.9	-130.3	-154.7	9.8	120.5
314	G	34	Very low	36.9	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	76%	0.76	S	S	*	*				114.6	147.5	125.6	0	0	0	0	0	121.2
315	R	36.3	Very low	37.2	Very low	241 Å²	241	138.6 Å²	138.6	91%	0.909	77%	0.767	S	S	*	*			trans	47.1	85.6	154.7	-64.7	-175.1	179.7	-118.7	2.4	121.1
316	S	34.4	Very low	37	Very low	86 Å²	86	142.3 Å²	142.3	60%	0.601	77%	0.768	S	S	*	*				68.7	152.8	116.5	70.6	0	0	0	0	124.4
317	Y	35.8	Very low	37.1	Very low	132 Å²	132	138.7 Å²	138.7	52%	0.518	77%	0.765	S	S	.	*			trans	97.8	127.4	155.6	-97.8	-90.2	0	0	0	121	N332 S333	Y317-N332 HydrophobicContact CD1-CB 4.33Å; Y317-N332 WeakPolarHBondContact CD1-ND2 3.44Å; Y317-N332 HydrophobicContact CE1-CB 4.09Å; Y317-N332 WeakPolarHBondContact CE1-ND2 3.18Å; Y317-N332 HydrophobicContact CE2-CB 4.36Å; Y317-S333 WeakPolarHBondContact CA-OG 3.24Å; Y317-S333 PolarHBondContact N-OG 3.13Å
318	W	37.3	Very low	37.3	Very low	208 Å²	208	139.2 Å²	139.2	79%	0.788	76%	0.757	S	S	*	*			trans	68.8	153.9	171	-50.2	110.4	0	0	0	118.1	N332	W318-N332 PolarHBondContact N-ND2 2.83Å
319	G	45.6	Very low	37.7	Very low	58 Å²	58	143.7 Å²	143.7	60%	0.598	76%	0.758	S	S	*	*			cis	170.8	145.2	-13.1	0	0	0	0	0	114.8
320	A	40.2	Very low	38.1	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	76%	0.759	S	S	*	*			trans	62.2	152.1	174.3	0	0	0	0	0	117.6
321	G	38.4	Very low	38.2	Very low	71 Å²	71	139.7 Å²	139.7	73%	0.732	75%	0.753	S	S	*	*			cis	170.6	-177.6	-4.2	0	0	0	0	0	108.8
322	K	42.6	Very low	38.1	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.826	73%	0.732	S	S	*	*			cis	-152.2	158.2	-2.3	-49.5	171.2	-173.2	171.6	0	103.8
323	H	39.8	Very low	38.1	Very low	189 Å²	189	132.6 Å²	132.6	88%	0.875	72%	0.718	S	S	*	*			cis	-163.9	-178.4	5.3	-133.1	-10.5	0	0	0	106
324	R	40.1	Very low	38.1	Very low	178 Å²	178	127.5 Å²	127.5	67%	0.672	72%	0.716	S	S	*	*			cis	-151.7	27.6	3.9	-152.7	166.8	-171	176.1	2.2	111.9	R326	R324-R326 PolarHBondContact O-N 2.78Å; R324-R326 VanDerWaalsContact O-N 3.1Å
325	G	38.1	Very low	38	Very low	87 Å²	87	128 Å²	128	90%	0.897	71%	0.713	S	S	*	*			trans	-66.1	102.6	-177.8	0	0	0	0	0	112
326	R	37	Very low	38	Very low	204 Å²	204	122.1 Å²	122.1	77%	0.77	71%	0.708	S	S	*	*			trans	-83.7	117.2	-165.8	-82.1	174.1	-84.7	171.7	-4	113.3	R324	R324-R326 PolarHBondContact O-N 2.78Å; R324-R326 VanDerWaalsContact O-N 3.1Å
327	N	37.8	Very low	38	Very low	148 Å²	148	129.5 Å²	129.5	79%	0.791	72%	0.723	S	S	*	*			trans	-166.2	96.7	130.7	-89.7	-6.3	0	0	0	104.8
328	I	39.6	Very low	37.8	Very low	131 Å²	131	129.2 Å²	129.2	67%	0.672	74%	0.74	S	S	*	*				45.2	104.5	89.5	-51.3	179.9	0	0	0	109.1
329	E	39.7	Very low	37.6	Very low	170 Å²	170	122.4 Å²	122.4	79%	0.794	73%	0.734	S	S	*	*			cis	-148.6	-177.5	13.6	-137.9	132.2	-138.7	0	0	112.3
330	S	41.7	Very low	37	Very low	112 Å²	112	125 Å²	125	78%	0.783	74%	0.744	S	S	*	*			trans	-17.4	142.5	174.2	52.6	0	0	0	0	118.4
331	G	35.7	Very low	36.5	Very low	70 Å²	70	129.7 Å²	129.7	72%	0.722	75%	0.745	S	S	*	*			cis	139.6	157.6	20.6	0	0	0	0	0	108.5
332	N	34.7	Very low	36.2	Very low	69 Å²	69	131.4 Å²	131.4	37%	0.369	75%	0.746	S	S	.	*			cis	-158.1	159	3.6	-158.8	-0.4	0	0	0	110.1	Y317 W318	Y317-N332 HydrophobicContact CD1-CB 4.33Å; Y317-N332 WeakPolarHBondContact CD1-ND2 3.44Å; Y317-N332 HydrophobicContact CE1-CB 4.09Å; Y317-N332 WeakPolarHBondContact CE1-ND2 3.18Å; Y317-N332 HydrophobicContact CE2-CB 4.36Å; W318-N332 PolarHBondContact N-ND2 2.83Å
333	S	36.7	Very low	35.6	Very low	44 Å²	44	127.5 Å²	127.5	31%	0.308	74%	0.742	S	S	.	*			trans	37.8	137.5	151.1	60.7	0	0	0	0	121.3	Y317	Y317-S333 WeakPolarHBondContact CA-OG 3.24Å; Y317-S333 PolarHBondContact N-OG 3.13Å
334	S	35.3	Very low	35.2	Very low	111 Å²	111	123.3 Å²	123.3	78%	0.776	74%	0.741	S	S	*	*			cis	-169.3	-167.6	3.3	54.8	0	0	0	0	106.2
335	A	32.3	Very low	34.7	Very low	87 Å²	87	118.6 Å²	118.6	72%	0.719	75%	0.747	S	S	*	*			cis	-147.1	-149.8	3.6	0	0	0	0	0	109.3
336	S	35.8	Very low	34.6	Very low	117 Å²	117	119 Å²	119	82%	0.818	74%	0.736	S	S	*	*			trans	-164.8	166.6	174.7	-75.9	0	0	0	0	113.2
337	R	33.6	Very low	34.6	Very low	242 Å²	242	120.9 Å²	120.9	91%	0.913	74%	0.744	S	S	*	*			trans	83.9	120.3	159.5	-67.9	177.6	155.6	-164.8	-6.4	121.5
338	S	32.8	Very low	34.5	Very low	125 Å²	125	117.2 Å²	117.2	87%	0.874	74%	0.74	S	S	*	*				74.1	145.9	122.8	-150.6	0	0	0	0	122.6
339	G	31.4	Very low	34.5	Very low	65 Å²	65	122.5 Å²	122.5	67%	0.67	75%	0.752	S	S	*	*			trans	100.4	114.5	178.3	0	0	0	0	0	112.6
340	S	33.2	Very low	34.5	Very low	114 Å²	114	120.2 Å²	120.2	80%	0.797	75%	0.75	S	S	*	*			cis	92.4	136.7	29.5	-55.9	0	0	0	0	115.8
341	K	30.5	Very low	34.3	Very low	199 Å²	199	120.4 Å²	120.4	87%	0.865	75%	0.751	S	S	*	*			trans	87.3	117	168.6	-61.5	-175.4	176.5	179.2	0	119
342	S	31.2	Very low	34.4	Very low	107 Å²	107	120.9 Å²	120.9	75%	0.748	76%	0.755	S	S	*	*			trans	34	143.1	133	65.4	0	0	0	0	120.4
343	S	31.3	Very low	34.4	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	77%	0.771	S	S	*	*				-173.4	177.6	58.1	57.8	0	0	0	0	113
344	A	30.8	Very low	34.6	Very low	102 Å²	102	125.6 Å²	125.6	84%	0.843	79%	0.793	S	S	*	*			trans	44.7	117.3	161.6	0	0	0	0	0	117.8
345	G	30.4	Very low	34.9	Very low	78 Å²	78	127.1 Å²	127.1	80%	0.804	79%	0.788	S	S	*	*				138.5	165.4	58	0	0	0	0	0	106.4
346	S	35	Very low	35	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	78%	0.776	S	S	*	*			cis	-172.4	147.4	39	-173.7	0	0	0	0	109.2
347	R	38.1	Very low	35.1	Very low	244 Å²	244	130.7 Å²	130.7	92%	0.921	77%	0.774	S	S	*	*			trans	55	123.7	160.3	-61.7	157.3	-173.4	-178.2	0.1	118.1
348	G	34.6	Very low	35.2	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	76%	0.759	S	S	*	*			cis	135.7	167.7	-4.5	0	0	0	0	0	113.1
349	R	39.1	Very low	35.5	Very low	243 Å²	243	130.4 Å²	130.4	92%	0.917	76%	0.757	S	S	*	*			trans	71.2	145.5	179.1	-55.3	-176	171.5	-145	-3.9	114
350	T	41.1	Very low	35.8	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	76%	0.756	S	S	*	*			cis	-149.5	169.1	3.9	-12.2	0	0	0	0	111.6
351	S	36.3	Very low	36.4	Very low	116 Å²	116	131 Å²	131	81%	0.811	76%	0.758	S	S	*	*			trans	6.2	139.5	156.2	55.9	0	0	0	0	120
352	G	37.8	Very low	36.4	Very low	79 Å²	79	125.2 Å²	125.2	81%	0.814	75%	0.754	S	S	*	*			cis	-172.8	-173.4	5.7	0	0	0	0	0	108.5
353	G	35.8	Very low	36.5	Very low	68 Å²	68	123.3 Å²	123.3	70%	0.701	75%	0.752	S	S	*	*			cis	133.2	140.2	17.5	0	0	0	0	0	108.1
354	N	40	Very low	36.7	Very low	144 Å²	144	130.3 Å²	130.3	77%	0.77	76%	0.762	S	S	*	*			trans	69.1	139	-174.6	-61.9	-20	0	0	0	116.3
355	Q	41.9	Very low	36.9	Very low	143 Å²	143	129.2 Å²	129.2	67%	0.668	76%	0.76	S	S	*	*			cis	-154.7	172.5	-20.4	-128.3	170.9	67.5	0	0	111.7
356	T	34.4	Very low	37	Very low	75 Å²	75	128.9 Å²	128.9	46%	0.46	76%	0.757	S	S	.	*			trans	-26.9	161	161.1	45	0	0	0	0	116.8	F358	T356-F358 HydrophobicContact CG2-CD2 4.45Å; T356-F358 HydrophobicContact CG2-CE2 4.22Å
357	W	37.7	Very low	37.1	Very low	205 Å²	205	132.1 Å²	132.1	78%	0.777	77%	0.767	S	S	*	*			cis	-152.3	130.4	46.2	-71.1	82.2	0	0	0	116.4
358	F	36.4	Very low	37.2	Very low	138 Å²	138	123.9 Å²	123.9	61%	0.605	75%	0.746	S	S	*	*				45.6	144.2	129.4	-74.6	-95.4	0	0	0	124.8	T356	T356-F358 HydrophobicContact CG2-CD2 4.45Å; T356-F358 HydrophobicContact CG2-CE2 4.22Å
359	R	39.5	Very low	37.6	Very low	222 Å²	222	128.6 Å²	128.6	84%	0.838	75%	0.747	S	S	*	*			trans	75.6	113.4	140.7	-78.2	163.9	-165.6	-91.2	3.9	120.4
360	G	37.1	Very low	37.7	Very low	61 Å²	61	123.2 Å²	123.2	63%	0.629	74%	0.736	S	S	*	*			trans	-73.8	-175.7	130.8	0	0	0	0	0	111
361	P	45	Very low	37.8	Very low	132 Å²	132	125.4 Å²	125.4	86%	0.857	74%	0.736	S	S	*	*				-130.6	-154.4	53.2	37.5	-17.3	0	0	0	109.9
362	G	31.5	Very low	38.1	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	74%	0.738	S	S	*	*			cis	84	73.3	17.3	0	0	0	0	0	113.1
363	G	32.2	Very low	38.1	Very low	67 Å²	67	126.1 Å²	126.1	69%	0.691	73%	0.734	S	S	*	*			trans	154.5	129.8	167.1	0	0	0	0	0	116.3
364	R	35.8	Very low	38.2	Very low	255 Å²	255	134 Å²	134	96%	0.962	74%	0.742	S	S	*	*			trans	30.5	136.3	139.9	-57.8	176.5	-178.3	-93	2.2	120.3
365	G	34.5	Very low	38.2	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	74%	0.744	S	S	*	*			trans	94.3	125.2	172	0	0	0	0	0	110.7
366	G	33.8	Very low	37.8	Very low	71 Å²	71	135.7 Å²	135.7	73%	0.732	75%	0.748	S	S	*	*			cis	99.3	123.1	9.3	0	0	0	0	0	110.5
367	D	36.9	Very low	38.3	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	77%	0.77	S	S	*	*			trans	63	143.3	-178.8	-68	-41.2	0	0	0	117.2
368	S	40	Very low	38.4	Very low	70 Å²	70	137.5 Å²	137.5	49%	0.49	77%	0.768	S	S	.	*			cis	-165.8	-176.5	-16.5	54.3	0	0	0	0	109.3
369	K	42.7	Very low	38.7	Very low	169 Å²	169	135.9 Å²	135.9	74%	0.735	77%	0.772	S	S	*	*			trans	54	105.3	148	-71.2	161.2	-159.7	156.9	0	115.5
370	N	41.1	Very low	38.4	Very low	130 Å²	130	131.4 Å²	131.4	70%	0.695	77%	0.768	S	S	*	*				139.8	162.8	76.9	-93.3	-16.5	0	0	0	106.3
371	K	42.6	Very low	38.4	Very low	169 Å²	169	134.2 Å²	134.2	74%	0.735	77%	0.773	S	S	*	*			cis	-155.1	167.3	4.6	-128.5	166.6	-174.6	179.5	0	108.7
372	T	42.9	Very low	37.9	Very low	140 Å²	140	132.8 Å²	132.8	86%	0.859	77%	0.767	S	S	*	*			trans	53.2	118.1	156.6	50.8	0	0	0	0	119.5
373	G	38.4	Very low	38.7	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	77%	0.765	S	S	*	*			cis	137.4	176.4	-8.7	0	0	0	0	0	114
374	R	37.8	Very low	39.2	Very low	234 Å²	234	136.2 Å²	136.2	88%	0.883	76%	0.763	S	S	*	*			trans	63.9	126.6	170.8	-71	-178.5	170.6	-143.9	-5.6	115.4
375	R	40.4	Very low	39.3	Very low	216 Å²	216	133.9 Å²	133.9	82%	0.815	75%	0.754	S	S	*	*			cis	-137.5	138	7.3	-69.5	157.1	-179.9	-117	7.2	107.2
376	S	33.3	Very low	39.4	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	76%	0.756	S	S	*	*				61.9	84.2	54.5	79.5	0	0	0	0	114.9
377	K	44.8	Very low	39.6	Very low	211 Å²	211	147.5 Å²	147.5	92%	0.917	76%	0.759	S	S	*	*			trans	-170.1	87.1	149.3	-109.8	179.4	-178.1	-167.9	0	113.3
378	S	39.6	Very low	39.4	Very low	106 Å²	106	145 Å²	145	74%	0.741	75%	0.75	S	S	*	*			trans	-88.1	-176.2	130.6	61.8	0	0	0	0	107.3
379	P	42.2	Very low	39.6	Very low	105 Å²	105	147.1 Å²	147.1	68%	0.682	76%	0.756	S	S	*	*			cis	-129.8	-159.7	-3.9	32.9	-9.7	0	0	0	112.4
380	V	34.3	Very low	39.8	Very low	127 Å²	127	145.5 Å²	145.5	77%	0.77	76%	0.76	S	S	*	*			trans	60.4	169.1	170.4	-111.6	0	0	0	0	114
381	T	35.5	Very low	40.1	Very low	120 Å²	120	144.2 Å²	144.2	74%	0.736	76%	0.759	S	S	*	*			cis	-153.2	156	10.2	-8.8	0	0	0	0	105.7
382	S	36.4	Very low	40.5	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	76%	0.761	S	S	*	*			cis	-148	167.4	19.2	-75.4	0	0	0	0	112.8
383	P	46.8	Very low	40.8	Very low	115 Å²	115	142 Å²	142	75%	0.747	76%	0.755	S	S	*	*			trans	-100.1	-155.2	178.4	34.3	-15.2	0	0	0	109.5
384	P	43.1	Very low	41.2	Very low	101 Å²	101	143.4 Å²	143.4	66%	0.656	75%	0.752	S	S	*	*			cis	-154.5	-164.8	12.7	47.4	-25.3	0	0	0	119.4
385	R	37.3	Very low	41.1	Very low	205 Å²	205	138.8 Å²	138.8	77%	0.774	75%	0.745	S	S	*	*			trans	81.9	120.6	155.9	-72.9	169.7	-171.4	-148.9	-0.1	116.5
386	R	37	Very low	41.2	Very low	225 Å²	225	136.5 Å²	136.5	85%	0.849	74%	0.743	S	S	*	*				63.1	129.2	85.3	-63.6	-179	-172	-162.7	-0.1	110.8
387	R	38.8	Very low	41.6	Very low	212 Å²	212	142.8 Å²	142.8	80%	0.8	75%	0.751	S	S	*	*			cis	-126.8	162	24.3	-81.3	177.2	154.8	133.5	-11.6	110.5	D389	R387-D389 WeakPolarHBondContact CD-OD2 3.44Å; R387-D389 IonicContact NE-OD2 2.95Å
388	T	33.3	Very low	41.2	Very low	113 Å²	113	138.3 Å²	138.3	69%	0.693	74%	0.743	S	S	*	*				53	159.4	58.1	69.3	0	0	0	0	114.7
389	D	44.3	Very low	41	Very low	114 Å²	114	137.4 Å²	137.4	61%	0.61	73%	0.733	S	S	*	*			trans	75.3	88.7	168.8	-39.9	-51.5	0	0	0	113.2	R387	R387-D389 WeakPolarHBondContact CD-OD2 3.44Å; R387-D389 IonicContact NE-OD2 2.95Å
390	V	45.2	Very low	40.6	Very low	135 Å²	135	142 Å²	142	82%	0.818	74%	0.742	S	S	*	*				81.4	125.3	88.1	166.1	0	0	0	0	112
391	P	47.7	Very low	40.6	Very low	103 Å²	103	143.4 Å²	143.4	67%	0.669	73%	0.734	S	S	*	*			trans	-91.6	155.8	-160.2	36	-37.5	0	0	0	114.6	L393	P391-L393 PolarHBondContact O-N 2.84Å
392	P	52	Low	40.6	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	73%	0.732	S	S	*	*			trans	-77.9	100.5	155.2	32.6	-29.9	0	0	0	109.7	P394	P392-P394 VanDerWaalsContact C-CD 3.42Å; P392-P394 WeakPolarHBondContact O-CD 3.27Å
393	L	48	Very low	40.5	Very low	141 Å²	141	146.7 Å²	146.7	74%	0.738	73%	0.731	S	S	*	*			trans	-86.3	103.8	144.1	-85.5	171	0	0	0	107.9	P391 N395	P391-L393 PolarHBondContact O-N 2.84Å; L393-N395 PolarHBondContact O-ND2 3.26Å
394	P	48.3	Very low	40	Very low	101 Å²	101	145.3 Å²	145.3	66%	0.656	73%	0.729	S	S	*	*			trans	-78.4	117.9	140.3	32.5	-26.8	0	0	0	106.2	P392	P392-P394 VanDerWaalsContact C-CD 3.42Å; P392-P394 WeakPolarHBondContact O-CD 3.27Å
395	N	34.3	Very low	39.8	Very low	137 Å²	137	148.5 Å²	148.5	73%	0.733	74%	0.739	S	S	*	*				45.2	97.2	60.5	-49.5	-26.9	0	0	0	108.1	L393	L393-N395 PolarHBondContact O-ND2 3.26Å
396	E	42.5	Very low	39.6	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	73%	0.725	S	S	*	*			cis	-136.1	128.6	47.2	-62	176	162	0	0	115
397	R	42.7	Very low	39.6	Very low	239 Å²	239	137.1 Å²	137.1	90%	0.902	73%	0.726	S	S	*	*				-88.1	157.8	126.8	-76.2	-178.9	177.5	179.2	0.3	106.8
398	P	35.5	Very low	39.2	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	72%	0.719	S	S	*	*			cis	-138.8	126.8	-19.7	32.7	-13.4	0	0	0	113
399	V	35.8	Very low	39.6	Very low	86 Å²	86	134.3 Å²	134.3	52%	0.521	73%	0.729	S	S	.	*			trans	-129.7	112.9	172.7	-148	0	0	0	0	114	R401	V399-R401 HydrophobicContact CB-CG 4.17Å; V399-R401 HydrophobicContact CG1-CG 3.58Å; V399-R401 PolarHBondContact O-N 3.32Å
400	K	34.2	Very low	39.1	Very low	202 Å²	202	133 Å²	133	88%	0.878	73%	0.734	S	S	*	*			trans	-69.4	100.1	154.8	-69.9	176.6	178.3	176	0	107.7	P402	K400-P402 WeakPolarHBondContact O-CD 2.85Å
401	R	33.7	Very low	38.7	Very low	157 Å²	157	132.4 Å²	132.4	59%	0.592	73%	0.731	S	S	*	*			trans	-105.8	91	169	-76.3	-171.1	154.7	131.1	-4.3	111.2	V399 W403	V399-R401 HydrophobicContact CB-CG 4.17Å; V399-R401 HydrophobicContact CG1-CG 3.58Å; V399-R401 PolarHBondContact O-N 3.32Å; R401-W403 HydrophobicContact CB-CD2 4.21Å; R401-W403 HydrophobicContact CB-CG 4.39Å; R401-W403 HydrophobicContact CG-CD2 4.05Å; R401-W403 HydrophobicContact CG-CE3 4.05Å; R401-W403 HydrophobicContact CG-CH2 4.31Å; R401-W403 HydrophobicContact CG-CZ2 4.27Å; R401-W403 HydrophobicContact CG-CZ3 4.22Å; R401-W403 PolarHBondContact O-N 3.4Å; R401-W403 VanDerWaalsContact O-N 3.14Å
402	P	36.2	Very low	38	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	73%	0.734	S	S	*	*			trans	-83.8	54.1	169.4	36.9	-36.1	0	0	0	110.4	K400	K400-P402 WeakPolarHBondContact O-CD 2.85Å
403	W	33.9	Very low	37	Very low	182 Å²	182	132.4 Å²	132.4	69%	0.689	74%	0.737	S	S	*	*			trans	-119.2	116.3	-174.6	-47.6	-21	0	0	0	107.7	R401	R401-W403 HydrophobicContact CB-CD2 4.21Å; R401-W403 HydrophobicContact CB-CG 4.39Å; R401-W403 HydrophobicContact CG-CD2 4.05Å; R401-W403 HydrophobicContact CG-CE3 4.05Å; R401-W403 HydrophobicContact CG-CH2 4.31Å; R401-W403 HydrophobicContact CG-CZ2 4.27Å; R401-W403 HydrophobicContact CG-CZ3 4.22Å; R401-W403 PolarHBondContact O-N 3.4Å; R401-W403 VanDerWaalsContact O-N 3.14Å
404	A	36.8	Very low	36.4	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	74%	0.738	S	S	*	*			cis	91.4	69.2	32.9	0	0	0	0	0	114.7
405	I	37.7	Very low	35.6	Very low	167 Å²	167	135.1 Å²	135.1	86%	0.856	74%	0.742	S	S	*	*			trans	-140.3	100.6	149.7	-53.3	177.6	0	0	0	103.7
406	A	34.2	Very low	35.7	Very low	57 Å²	57	135 Å²	135	47%	0.471	75%	0.746	S	S	.	*			cis	76.3	116.7	33.2	0	0	0	0	0	114	S408	A406-S408 PolarHBondContact O-N 2.92Å; A406-S408 VanDerWaalsContact O-N 3.09Å
407	P	37.4	Very low	35.2	Very low	135 Å²	135	131.2 Å²	131.2	88%	0.877	74%	0.738	S	S	*	*			trans	-71.6	81.1	142.5	31.9	-29.7	0	0	0	107.4	L409	P407-L409 VanDerWaalsContact C-N 3.3Å; P407-L409 PolarHBondContact O-N 3.34Å
408	S	30.3	Very low	35.2	Very low	95 Å²	95	130 Å²	130	66%	0.664	74%	0.739	S	S	*	*			trans	-90	66.7	177.9	55	0	0	0	0	111	A406	A406-S408 PolarHBondContact O-N 2.92Å; A406-S408 VanDerWaalsContact O-N 3.09Å
409	L	40.3	Very low	35.3	Very low	170 Å²	170	127 Å²	127	89%	0.89	73%	0.729	S	S	*	*			trans	-130.2	119	161.3	-64	174.8	0	0	0	105.8	P407	P407-L409 VanDerWaalsContact C-N 3.3Å; P407-L409 PolarHBondContact O-N 3.34Å
410	A	35.3	Very low	35.6	Very low	88 Å²	88	131 Å²	131	73%	0.727	75%	0.748	S	S	*	*			cis	-136.5	171.4	7.6	0	0	0	0	0	113.4
411	T	35.4	Very low	35.9	Very low	122 Å²	122	124.4 Å²	124.4	75%	0.748	74%	0.738	S	S	*	*			trans	-17.6	125.2	160.7	39.7	0	0	0	0	115.8
412	T	32.6	Very low	36.3	Very low	120 Å²	120	125.3 Å²	125.3	74%	0.736	75%	0.748	S	S	*	*				69.1	120	87.5	-54.6	0	0	0	0	112.7	Q414	T412-Q414 PolarHBondContact O-N 2.84Å
413	A	32	Very low	36.6	Very low	102 Å²	102	125.1 Å²	125.1	84%	0.843	75%	0.745	S	S	*	*			trans	-70.9	109.5	174.1	0	0	0	0	0	111.3
414	Q	36.4	Very low	37	Very low	163 Å²	163	124.1 Å²	124.1	76%	0.762	75%	0.746	S	S	*	*			trans	-158.7	127.6	157	-115.1	172.4	-1.1	0	0	111.5	T412	T412-Q414 PolarHBondContact O-N 2.84Å
415	N	31.6	Very low	37.2	Very low	137 Å²	137	126.2 Å²	126.2	73%	0.733	74%	0.741	S	S	*	*			trans	48	126.5	141.4	-62.5	-10.1	0	0	0	121.8
416	V	35.5	Very low	37.3	Very low	135 Å²	135	128.7 Å²	128.7	82%	0.818	74%	0.739	S	S	*	*			trans	75.9	141.3	139.7	172	0	0	0	0	117.5
417	S	32.9	Very low	37.5	Very low	87 Å²	87	129.5 Å²	129.5	61%	0.608	74%	0.741	S	S	*	*			cis	-173.9	152.5	-27.6	-86.3	0	0	0	0	108.7
418	K	41.8	Very low	37.6	Very low	213 Å²	213	131.2 Å²	131.2	93%	0.926	74%	0.737	S	S	*	*			trans	68.7	156.3	172.6	-52.5	163	-176.7	-179.9	0	114.2
419	G	37.2	Very low	37.8	Very low	54 Å²	54	131.4 Å²	131.4	56%	0.557	74%	0.739	S	S	*	*			cis	-131.3	153.9	-7.5	0	0	0	0	0	110.4
420	D	42.5	Very low	37.6	Very low	170 Å²	170	128.4 Å²	128.4	91%	0.909	73%	0.732	S	S	*	*				78.4	118.4	94.2	-57.3	-41.3	0	0	0	112.5
421	G	39.4	Very low	37.6	Very low	64 Å²	64	128.8 Å²	128.8	66%	0.66	73%	0.729	S	S	*	*			cis	-138.6	-163	-8.2	0	0	0	0	0	110.6
422	H	42	Very low	37.7	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.815	73%	0.732	S	S	*	*			cis	-145.2	144.1	14.6	-101.5	-99.5	0	0	0	112.5
423	T	42.9	Very low	37.9	Very low	104 Å²	104	130.8 Å²	130.8	64%	0.638	73%	0.73	S	S	*	*			trans	29.1	112.7	147.1	57.3	0	0	0	0	119.8
424	K	43.1	Very low	38.4	Very low	161 Å²	161	130.7 Å²	130.7	70%	0.7	72%	0.721	S	S	*	*				88.8	142	100.3	-78.9	-178.8	165	-82.7	0	113.7
425	E	41.1	Very low	38.3	Very low	131 Å²	131	128.2 Å²	128.2	61%	0.612	72%	0.722	S	S	*	*			cis	-154	163.1	-10.1	-131.9	160	-165.5	0	0	112.2
426	R	38.9	Very low	38.9	Very low	218 Å²	218	127.5 Å²	127.5	82%	0.823	72%	0.724	S	S	*	*			trans	18.1	151.2	138.6	-78	177.2	170.7	-144.4	-2.7	120.6
427	S	38.7	Very low	39.1	Very low	75 Å²	75	124.4 Å²	124.4	52%	0.524	71%	0.709	S	S	.	*			cis	161.3	148.2	-15.9	-115.6	0	0	0	0	107.6
428	H	40.3	Very low	39.4	Very low	171 Å²	171	121.6 Å²	121.6	79%	0.792	69%	0.693	S	S	*	*			trans	63.4	163.3	153.8	-53.7	-31.9	0	0	0	115.3
429	S	35.1	Very low	39.5	Very low	99 Å²	99	115.2 Å²	115.2	69%	0.692	67%	0.672	S	S	*	*			cis	-155.1	170.5	-27.3	-102.5	0	0	0	0	108.7
430	S	34.6	Very low	39.7	Very low	107 Å²	107	119.3 Å²	119.3	75%	0.748	67%	0.674	S	S	*	*			trans	-19.5	135.5	163.4	57	0	0	0	0	117.6
431	S	35.6	Very low	39.7	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	66%	0.664	S	S	*	*				173.6	168.2	87.4	60.6	0	0	0	0	112.7
432	K	37.3	Very low	40	Very low	183 Å²	183	120.3 Å²	120.3	80%	0.796	67%	0.669	S	S	*	*			trans	56.6	114.1	159.3	-66.9	167.5	179.3	178.9	0	117.3
433	S	37	Very low	40.1	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	67%	0.672	S	S	*	*			cis	61.1	141.1	43.6	92	0	0	0	0	114.9
434	P	41.8	Very low	40	Very low	101 Å²	101	122.6 Å²	122.6	66%	0.656	67%	0.673	S	S	*	*			cis	-146.2	151.5	-30.9	36.4	-17.9	0	0	0	116
435	S	35.5	Very low	39.9	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	67%	0.673	S	S	*	*			trans	65.2	-177	141.1	-61.6	0	0	0	0	117.9
436	P	44	Very low	39.8	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	68%	0.679	S	S	*	*				-137.8	161.7	-59	38.5	-24.9	0	0	0	115
437	S	39.1	Very low	39.5	Very low	71 Å²	71	123.7 Å²	123.7	50%	0.497	67%	0.673	S	S	.	*			trans	-175.7	147.1	172.7	52.3	0	0	0	0	110	E86 G87	E86-S437 CarbonylContact O-C 3.54Å; E86-S437 VanDerWaalsContact O-CA 3.24Å; E86-S437 WeakPolarHBondContact O-CA 3.44Å; E86-S437 WeakPolarHBondContact O-CB 3.37Å; G87-S437 CarbonylContact O-C 3.57Å; G87-S437 WeakPolarHBondContact O-CB 3.34Å; G87-S437 PolarHBondContact O-OG 2.8Å
438	G	39	Very low	39.1	Very low	27 Å²	27	127.3 Å²	127.3	28%	0.278	69%	0.685	S	S	.	*	B	Isolated β-bridge	cis	168.6	155.6	-35.7	0	0	0	0	0	115.7	E86 G87 E88	E86-G438 CarbonylContact C-O 3.06Å; E86-G438 CarbonylContact O-C 3.51Å; E86-G438 WeakPolarHBondContact O-CA 3.47Å; E86-G438 PolarHBondContact O-N 3.37Å; G87-G438 PolarHBondContact N-O 3.3Å; G87-G438 VanDerWaalsContact N-O 3.11Å; G87-G438 PolarHBondContact O-N 3.09Å; E88-G438 VanDerWaalsContact N-N 3.19Å; E88-G438 PolarHBondContact N-O 3.14Å
439	V	44.3	Very low	38.6	Very low	79 Å²	79	124.9 Å²	124.9	48%	0.479	68%	0.682	S	S	.	*			trans	43.1	107.3	155.4	-162.3	0	0	0	0	122.3	E85	E85-V439 VanDerWaalsContact C-CG2 3.42Å; E85-V439 WeakPolarHBondContact O-CG2 3.39Å
440	K	42.6	Very low	38.4	Very low	141 Å²	141	124.9 Å²	124.9	61%	0.613	68%	0.682	S	S	*	*				159	144.7	124.8	-85.2	177.7	-175.3	143.7	0	109.9	E85	E85-K440 VanDerWaalsContact OE1-CE 3.24Å; E85-K440 WeakPolarHBondContact OE1-CE 3.31Å; E85-K440 IonicContact OE1-NZ 3.03Å; E85-K440 PolarHBondContact OE1-NZ 2.93Å
441	D	41.3	Very low	38.2	Very low	127 Å²	127	130.7 Å²	130.7	68%	0.679	69%	0.688	S	S	*	*			cis	-155.9	174.6	-11.5	-119.4	-28.4	0	0	0	110.8
442	T	45.8	Very low	38.1	Very low	127 Å²	127	130.2 Å²	130.2	78%	0.779	69%	0.685	S	S	*	*			trans	83.4	119	174.8	72.2	0	0	0	0	119.3
443	E	43.3	Very low	38	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	68%	0.677	S	S	*	*			trans	42	93.4	151.5	-53	-162.6	142.2	0	0	118.4
444	E	42	Very low	37.7	Very low	144 Å²	144	129.8 Å²	129.8	67%	0.673	68%	0.679	S	S	*	*				70.6	145.2	54.2	-145.4	-146.6	154.8	0	0	115.3
445	K	41.4	Very low	37.2	Very low	158 Å²	158	131.3 Å²	131.3	69%	0.687	69%	0.688	S	S	*	*			trans	60.9	121.5	175.5	-68.9	132.5	174.9	152.7	0	117
446	R	38.7	Very low	37.1	Very low	196 Å²	196	130.8 Å²	130.8	74%	0.74	69%	0.685	S	S	*	*			cis	51.1	99.8	15	-91.7	-161.9	-85.9	171.4	-4.6	112.2
447	Y	32.8	Very low	36.7	Very low	179 Å²	179	129.4 Å²	129.4	70%	0.702	68%	0.678	S	S	*	*			cis	-159.7	175.8	42.9	-82.8	-87.5	0	0	0	113.5	T449	Y447-T449 PolarHBondContact O-N 3.47Å
448	I	30	Very low	36.6	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	69%	0.691	S	S	*	*			trans	-26.1	126.4	146.3	-45.5	162.5	0	0	0	112.8
449	T	30.3	Very low	36.6	Very low	121 Å²	121	131.8 Å²	131.8	74%	0.742	71%	0.714	S	S	*	*				176.6	165.7	126.8	30.2	0	0	0	0	113.3	Y447	Y447-T449 PolarHBondContact O-N 3.47Å
450	S	29.6	Very low	36.4	Very low	98 Å²	98	136 Å²	136	69%	0.685	73%	0.729	S	S	*	*			trans	-75.1	116.8	-173.1	48.6	0	0	0	0	115.3	S452	S450-S452 PolarHBondContact O-OG 2.77Å; S450-S452 VanDerWaalsContact O-OG 3.04Å
451	W	31.9	Very low	36.2	Very low	229 Å²	229	136.1 Å²	136.1	87%	0.867	74%	0.736	S	S	*	*			trans	-109.4	116.3	154.5	-66.7	55.9	0	0	0	105.8
452	S	33.3	Very low	36.1	Very low	87 Å²	87	133.7 Å²	133.7	61%	0.608	74%	0.741	S	S	*	*			cis	70.2	139.1	35.1	-43.7	0	0	0	0	112.3	S450	S450-S452 PolarHBondContact O-OG 2.77Å; S450-S452 VanDerWaalsContact O-OG 3.04Å
453	R	34.3	Very low	36	Very low	168 Å²	168	138.9 Å²	138.9	63%	0.634	75%	0.746	S	S	*	*			trans	67.7	126.2	-178.6	-66.6	160.6	172.4	-111.1	8.5	113.1	S456 S457	R453-S456 PolarHBondContact NH1-O 2.62Å; R453-S457 PolarHBondContact NH1-O 2.77Å; R453-S457 PolarHBondContact NH2-O 3.37Å
454	S	30.1	Very low	35.9	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	74%	0.738	S	S	*	*	S	Bend	cis	53.9	111.4	13.4	-64.8	0	0	0	0	113.5
455	P	32.3	Very low	36.1	Very low	132 Å²	132	135.4 Å²	135.4	86%	0.857	74%	0.743	S	S	*	*	S	Bend	trans	-68.4	167.2	-160.3	28.4	-37.2	0	0	0	114.9
456	S	32.3	Very low	36	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	75%	0.749	S	S	*	*			trans	102.2	149.1	168.7	-154.8	0	0	0	0	117.9	R453	R453-S456 PolarHBondContact NH1-O 2.62Å
457	S	37.2	Very low	36.3	Very low	91 Å²	91	131.3 Å²	131.3	64%	0.636	75%	0.753	S	S	*	*			trans	53.5	116.7	170.9	62	0	0	0	0	122.2	R453	R453-S457 PolarHBondContact NH1-O 2.77Å; R453-S457 PolarHBondContact NH2-O 3.37Å
458	G	36.6	Very low	36.7	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	76%	0.758	S	S	*	*				91.9	135.4	113.1	0	0	0	0	0	120.1
459	G	37.7	Very low	37.2	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	75%	0.754	S	S	*	*			trans	-82.4	-165	161	0	0	0	0	0	112.8
460	E	40.6	Very low	37.7	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	75%	0.752	S	S	*	*			cis	-161.9	159.1	1.6	-128.5	-178.6	113.5	0	0	111.1
461	N	39.2	Very low	38.2	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	75%	0.747	S	S	*	*			trans	53.2	137.3	153.4	-54.2	-27	0	0	0	124.2
462	G	39.8	Very low	38.6	Very low	76 Å²	76	135.3 Å²	135.3	78%	0.784	75%	0.747	S	S	*	*			trans	143.7	94	151.2	0	0	0	0	0	121.8
463	R	42.2	Very low	39.4	Very low	236 Å²	236	138.7 Å²	138.7	89%	0.891	76%	0.757	S	S	*	*			trans	12.4	156.3	134.5	-63.8	-173.9	-178.4	151.9	2.3	121.7
464	D	41.7	Very low	40.4	Very low	131 Å²	131	136.1 Å²	136.1	70%	0.701	76%	0.762	S	S	*	*			cis	-172.3	172.2	-5.3	-110.6	-37.8	0	0	0	114
465	V	46	Very low	41	Very low	126 Å²	126	138.6 Å²	138.6	76%	0.764	77%	0.767	S	S	*	*			trans	69.7	156.9	156.5	168.1	0	0	0	0	116.1
466	T	40.4	Very low	41.8	Very low	134 Å²	134	137.9 Å²	137.9	82%	0.822	76%	0.76	S	S	*	*			cis	-158.4	165.2	39.2	-25.6	0	0	0	0	113.2
467	V	44.1	Very low	42.6	Very low	134 Å²	134	140.5 Å²	140.5	81%	0.812	76%	0.764	S	S	*	*			trans	-160.4	141.8	168.5	94.9	0	0	0	0	116
468	H	40.5	Very low	43	Very low	178 Å²	178	142.2 Å²	142.2	82%	0.824	77%	0.773	S	S	*	*			trans	177.7	176.2	165.9	-104	38.9	0	0	0	111.8
469	R	40.2	Very low	43.4	Very low	178 Å²	178	142.2 Å²	142.2	67%	0.672	77%	0.774	S	S	*	*				-162.6	178.2	-65.9	-150.5	-167.9	155	163.5	-5.3	110.7	E471	R469-E471 IonicContact CZ-OE1 3.32Å; R469-E471 IonicContact NE-OE1 3.3Å; R469-E471 PolarHBondContact NE-OE1 2.88Å; R469-E471 IonicContact NH2-OE1 2.63Å; R469-E471 PolarHBondContact NH2-OE1 3.04Å
470	H	41.7	Very low	43.7	Very low	154 Å²	154	144.6 Å²	144.6	71%	0.713	78%	0.775	S	S	*	*			trans	87.5	162.1	168.8	-55.6	-74.4	0	0	0	120
471	E	39.8	Very low	43.9	Very low	123 Å²	123	141.6 Å²	141.6	58%	0.575	77%	0.77	S	S	*	*				177.9	167	-66.2	-98.2	178.3	-147	0	0	111.7	R469	R469-E471 IonicContact CZ-OE1 3.32Å; R469-E471 IonicContact NE-OE1 3.3Å; R469-E471 PolarHBondContact NE-OE1 2.88Å; R469-E471 IonicContact NH2-OE1 2.63Å; R469-E471 PolarHBondContact NH2-OE1 3.04Å
472	R	40.7	Very low	43.9	Very low	227 Å²	227	143.4 Å²	143.4	86%	0.857	77%	0.774	S	S	*	*			trans	80.8	151.6	170.7	-53	173.7	177.3	164.4	-2.2	118.7
473	L	50.2	Low	44	Very low	159 Å²	159	146.2 Å²	146.2	83%	0.832	78%	0.775	S	S	*	*			cis	-163.6	158.5	-28.7	-103.6	175.6	0	0	0	108.2
474	P	54.3	Low	43.7	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	78%	0.776	S	S	*	*			trans	-119.4	161.8	-179	40.8	-30.6	0	0	0	115.6
475	D	43.1	Very low	43.4	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	78%	0.782	S	S	*	*			trans	-165.4	162.9	158	-138.4	-22.2	0	0	0	118
476	V	48.7	Very low	42.9	Very low	118 Å²	118	151.8 Å²	151.8	72%	0.715	78%	0.784	S	S	*	*			trans	70.3	139.3	159	-124.2	0	0	0	0	125.6
477	I	50.1	Low	42.6	Very low	155 Å²	155	153.8 Å²	153.8	80%	0.795	78%	0.777	S	S	*	*			trans	77.5	113	161.1	-47.1	-175.1	0	0	0	119.9
478	P	45.2	Very low	42.2	Very low	127 Å²	127	148.9 Å²	148.9	83%	0.825	75%	0.753	S	S	*	*			trans	-102.7	157.8	171.7	38.7	-32.9	0	0	0	115
479	G	44.6	Very low	41.9	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	74%	0.737	S	S	*	*			trans	-159.5	121.3	172.2	0	0	0	0	0	113.1
480	P	45.3	Very low	41.8	Very low	124 Å²	124	139 Å²	139	81%	0.805	73%	0.734	S	S	*	*			trans	-108.2	178.7	-175	41.2	-35.3	0	0	0	113.4
481	P	44	Very low	41.6	Very low	104 Å²	104	135.6 Å²	135.6	68%	0.675	73%	0.733	S	S	*	*			cis	-131.4	154.5	-44.1	36.1	-22.9	0	0	0	112.3
482	H	39.5	Very low	41.5	Very low	182 Å²	182	135.3 Å²	135.3	84%	0.843	75%	0.745	S	S	*	*			trans	-178.1	108.7	139.2	-97.9	-61.7	0	0	0	113.1
483	V	41.2	Very low	41.7	Very low	134 Å²	134	129.5 Å²	129.5	81%	0.812	74%	0.736	S	S	*	*			trans	30.5	88	151.2	-163.1	0	0	0	0	119.5
484	R	36.4	Very low	41.1	Very low	238 Å²	238	128.9 Å²	128.9	90%	0.898	73%	0.733	S	S	*	*			trans	39.5	111.8	140.3	-74.1	179.9	165.8	161.7	-3.7	120.7
485	N	35.8	Very low	40.5	Very low	154 Å²	154	134 Å²	134	82%	0.824	74%	0.737	S	S	*	*				12.8	127	127.2	-59.7	-6.2	0	0	0	117.3
486	R	35.7	Very low	40.4	Very low	218 Å²	218	135.3 Å²	135.3	82%	0.823	73%	0.731	S	S	*	*			cis	60.1	116.8	32.7	-90.5	-168.1	-179.1	-160	3.8	117.4
487	R	34.5	Very low	39.9	Very low	177 Å²	177	136.5 Å²	136.5	67%	0.668	73%	0.726	S	S	*	*			trans	79.3	158.1	148.7	-67	-174.4	165.8	-154.8	-3.9	121	T672	R487-T672 HydrophobicContact CB-CG2 4.14Å; R487-T672 HydrophobicContact CG-CG2 3.87Å
488	G	35.3	Very low	39.3	Very low	30 Å²	30	131.3 Å²	131.3	31%	0.309	70%	0.698	S	S	.	*			trans	79.2	161.7	175.5	0	0	0	0	0	116.3	Q673	G488-Q673 PolarHBondContact O-N 3.04Å
489	G	33.6	Very low	38.9	Very low	46 Å²	46	126.8 Å²	126.8	47%	0.474	67%	0.669	S	S	.	*				151.4	141.4	-59.7	0	0	0	0	0	118.5	M671	G489-M671 WeakPolarHBondContact CA-O 3.11Å
490	V	38.4	Very low	38.7	Very low	102 Å²	102	127.5 Å²	127.5	62%	0.618	65%	0.649	S	S	*	*			trans	74.3	88	164.2	-171.3	0	0	0	0	118.7	P670	V490-P670 HydrophobicContact CB-CB 4.46Å; V490-P670 HydrophobicContact CG2-CB 3.79Å
491	A	36.5	Very low	38.7	Very low	84 Å²	84	125.3 Å²	125.3	69%	0.694	64%	0.637	S	S	*	*				50.5	135	119.6	0	0	0	0	0	124.3
492	S	38.9	Very low	38.8	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	64%	0.639	S	S	*	*			trans	76	156.7	139.2	-75.1	0	0	0	0	117.9
493	P	43.7	Very low	38.7	Very low	104 Å²	104	125.6 Å²	125.6	68%	0.675	64%	0.636	S	S	*	*			cis	-141	173.4	26.8	43.3	-25.5	0	0	0	118.6
494	L	38.3	Very low	38.6	Very low	147 Å²	147	123 Å²	123	77%	0.77	63%	0.629	S	S	*	*			trans	59	152.2	143.8	-94.2	54.3	0	0	0	120
495	R	41.5	Very low	38.4	Very low	220 Å²	220	118.8 Å²	118.8	83%	0.83	62%	0.624	S	S	*	*			cis	-152	154	-9.5	-150.6	167.1	-173.3	-173.9	-0.2	110.3
496	R	40.9	Very low	38.2	Very low	186 Å²	186	119.2 Å²	119.2	70%	0.702	63%	0.626	S	S	*	*			trans	-36.1	135.2	176	-73.5	140.3	66.8	132.9	-4.9	115.5
497	K	38.3	Very low	38.2	Very low	143 Å²	143	113.2 Å²	113.2	62%	0.622	62%	0.623	S	S	*	*				37.5	133.2	107.9	-82	-170.5	162.5	-141.3	0	114.7	I1038	K497-I1038 HydrophobicContact CD-CD1 4.3Å
498	K	37.9	Very low	38.3	Very low	45 Å²	45	110.7 Å²	110.7	20%	0.196	63%	0.628	C	S	.	*			trans	178.9	145.6	130.3	-87.4	154.9	169.4	-84.4	0	115.9	A1037 I1038 I1041 K1042	K498-A1037 PolarHBondContact NZ-O 2.83Å; K498-I1038 VanDerWaalsContact CA-CG2 3.41Å; K498-I1038 HydrophobicContact CB-CG2 3.88Å; K498-I1038 WeakPolarHBondContact CB-O 3.19Å; K498-I1038 VanDerWaalsContact CG-C 3.47Å; K498-I1038 HydrophobicContact CG-CB 3.74Å; K498-I1038 HydrophobicContact CG-CG1 4.03Å; K498-I1038 HydrophobicContact CG-CG2 3.37Å; K498-I1038 WeakPolarHBondContact CG-O 3.37Å; K498-I1041 HydrophobicContact CD-CB 3.83Å; K498-I1041 HydrophobicContact CD-CG2 3.65Å; K498-K1042 HydrophobicContact CB-CB 3.9Å; K498-K1042 WeakPolarHBondContact O-CD 3.34Å
499	S	37.6	Very low	38.6	Very low	32 Å²	32	118.4 Å²	118.4	22%	0.224	65%	0.653	C	S	.	*			trans	-159.5	167	-145.7	56.6	0	0	0	0	118.9	D1035 I1038 A1039	S499-D1035 WeakPolarHBondContact OG-CA 3.46Å; S499-D1035 WeakPolarHBondContact OG-CB 3.43Å; S499-D1035 PolarHBondContact OG-O 2.98Å; S499-D1035 PolarHBondContact OG-OD1 2.97Å; S499-D1035 PolarHBondContact OG-OD2 2.95Å; S499-I1038 WeakPolarHBondContact OG-CG2 3.47Å; S499-A1039 VanDerWaalsContact CA-CB 3.5Å; S499-A1039 WeakPolarHBondContact O-CA 3.4Å; S499-A1039 WeakPolarHBondContact O-CB 3.43Å; S499-A1039 PolarHBondContact O-N 3.02Å
500	R	40	Very low	38.9	Very low	90 Å²	90	121.5 Å²	121.5	34%	0.34	67%	0.665	S	S	.	*			trans	77.3	154.2	166	-174.2	174.4	168.5	-130.1	-23.4	118.9	N1032 L1033 D1035 D1036 A1039	R500-N1032 VanDerWaalsContact CD-O 3.3Å; R500-N1032 WeakPolarHBondContact CD-O 3.19Å; R500-N1032 PolarHBondContact NH1-O 2.81Å; R500-L1033 VanDerWaalsContact NH1-CA 3.33Å; R500-D1035 HydrophobicContact CB-CB 4.06Å; R500-D1036 IonicContact CZ-OD1 3.12Å; R500-D1036 IonicContact CZ-OD2 3.95Å; R500-D1036 IonicContact NE-OD1 3.31Å; R500-D1036 PolarHBondContact NE-OD1 2.76Å; R500-D1036 IonicContact NH1-OD1 2.79Å; R500-D1036 PolarHBondContact NH1-OD1 3.13Å; R500-D1036 IonicContact NH1-OD2 3.36Å; R500-D1036 PolarHBondContact NH1-OD2 3.24Å; R500-D1036 IonicContact NH2-OD1 2.72Å; R500-D1036 PolarHBondContact NH2-OD1 2.99Å; R500-D1036 IonicContact NH2-OD2 3.28Å; R500-D1036 PolarHBondContact NH2-OD2 2.97Å; R500-A1039 WeakPolarHBondContact O-CB 3.26Å
501	S	45	Very low	38.5	Very low	79 Å²	79	121.2 Å²	121.2	55%	0.552	67%	0.667	S	S	*	*			trans	-55.1	149.8	-178.1	-154.2	0	0	0	0	117
502	P	46.4	Very low	38.2	Very low	111 Å²	111	122.4 Å²	122.4	72%	0.721	67%	0.666	S	S	*	*			trans	-80.6	165	146.3	36.3	-32.5	0	0	0	111.8
503	F	37.2	Very low	37.9	Very low	181 Å²	181	124.2 Å²	124.2	79%	0.794	67%	0.665	S	S	*	*			trans	-95.4	-161	159.2	-92.7	-101.8	0	0	0	108.9
504	A	37.9	Very low	37.5	Very low	79 Å²	79	124.1 Å²	124.1	65%	0.653	66%	0.663	S	S	*	*			trans	78.3	129.8	178.8	0	0	0	0	0	114
505	D	33.5	Very low	37.1	Very low	150 Å²	150	124.2 Å²	124.2	80%	0.802	66%	0.664	S	S	*	*			cis	74.5	144.6	38.4	-54.2	-56.1	0	0	0	113.4
506	D	31.1	Very low	36.7	Very low	163 Å²	163	121.4 Å²	121.4	87%	0.872	65%	0.654	S	S	*	*			trans	49	101.2	173.8	-76.9	-35.9	0	0	0	119.4
507	A	35.4	Very low	36.3	Very low	91 Å²	91	116.7 Å²	116.7	75%	0.752	66%	0.655	S	S	*	*				-151.1	94.2	125.8	0	0	0	0	0	112
508	T	37.8	Very low	36.1	Very low	125 Å²	125	114.5 Å²	114.5	77%	0.767	66%	0.655	S	S	*	*			trans	37.8	116	140.1	56.3	0	0	0	0	121
509	K	41	Very low	36	Very low	192 Å²	192	122.6 Å²	122.6	84%	0.835	69%	0.69	S	S	*	*			trans	-37.4	145.8	142.2	-55.1	169.3	-176.4	175.7	0	111.8
510	P	39.5	Very low	35.7	Very low	111 Å²	111	124.7 Å²	124.7	72%	0.721	71%	0.705	S	S	*	*				-93.6	152.7	91.1	-24.4	38	0	0	0	111.5
511	S	30.1	Very low	35.5	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	73%	0.728	S	S	*	*			cis	66.8	137.1	42.8	111.5	0	0	0	0	111.9
512	T	31.2	Very low	34.9	Very low	109 Å²	109	129.2 Å²	129.2	67%	0.669	74%	0.735	S	S	*	*			cis	-160.6	157.6	19	-17	0	0	0	0	111.1
513	L	31.1	Very low	34.4	Very low	154 Å²	154	133 Å²	133	81%	0.806	74%	0.742	S	S	*	*			trans	66.6	156.1	158.4	-61.4	157.4	0	0	0	115.6
514	T	35.4	Very low	34.4	Very low	103 Å²	103	129.4 Å²	129.4	63%	0.632	74%	0.737	S	S	*	*			cis	-140	176.8	4.8	-31.6	0	0	0	0	110.7
515	N	30.2	Very low	34.1	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	74%	0.742	S	S	*	*			trans	-67.4	-156.6	163.7	-54.8	-48.8	0	0	0	112.2
516	W	32.6	Very low	34.3	Very low	161 Å²	161	133.2 Å²	133.2	61%	0.61	74%	0.741	S	S	*	*			trans	96.9	88.3	173	-52.6	105.8	0	0	0	116.1	A605	W516-A605 WeakPolarHBondContact CH2-O 3.47Å
517	A	33.2	Very low	34.6	Very low	87 Å²	87	129 Å²	129	72%	0.719	73%	0.729	S	S	*	*			trans	-65.1	162.3	146	0	0	0	0	0	109.6
518	P	34.5	Very low	34.7	Very low	98 Å²	98	135.4 Å²	135.4	64%	0.636	73%	0.734	S	S	*	*				-145.4	145.4	87.5	36.6	-20.6	0	0	0	116.1
519	K	35.7	Very low	34.9	Very low	214 Å²	214	136.2 Å²	136.2	93%	0.93	73%	0.733	S	S	*	*			trans	-118	90	130.2	-92.1	-171.5	174.5	-179.1	0	108.4
520	S	30.8	Very low	35	Very low	77 Å²	77	132.8 Å²	132.8	54%	0.538	72%	0.724	S	S	.	*			trans	-61.4	156.5	137.8	40.6	0	0	0	0	107.5
521	V	36.7	Very low	34.9	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	73%	0.73	S	S	*	*			cis	-126.5	111.2	36.5	176.1	0	0	0	0	108.2
522	N	31.6	Very low	35.3	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	73%	0.733	S	S	*	*				49.2	104.1	97.6	-73.9	6.4	0	0	0	114.3
523	H	36.7	Very low	35.5	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.875	74%	0.736	S	S	*	*			trans	-52.6	151.3	136.5	-73	-79.3	0	0	0	108.9
524	P	36.1	Very low	35.5	Very low	106 Å²	106	134.4 Å²	134.4	69%	0.688	73%	0.726	S	S	*	*				-130.2	171.4	121.6	38.9	-33.5	0	0	0	112.7
525	E	32	Very low	35.4	Very low	164 Å²	164	137.6 Å²	137.6	77%	0.766	73%	0.734	S	S	*	*			trans	68.9	126.9	156.9	-77.6	178.2	175.2	0	0	120.3
526	N	36.9	Very low	35.5	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	73%	0.732	S	S	*	*			trans	67.8	131.6	154.5	-53.8	-34.7	0	0	0	119
527	A	37.5	Very low	35.7	Very low	75 Å²	75	134.3 Å²	134.3	62%	0.62	74%	0.742	S	S	*	*			cis	-168.7	134.9	-19.9	0	0	0	0	0	107.6
528	R	38.4	Very low	35.8	Very low	225 Å²	225	135.9 Å²	135.9	85%	0.849	74%	0.742	S	S	*	*			trans	58	154.7	143.8	-64.2	176.1	166.8	154.4	-4.4	119.2
529	N	42.9	Very low	36.1	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	75%	0.753	S	S	*	*			trans	68.5	146.5	167.2	-47	-7.5	0	0	0	116.2
530	D	41.3	Very low	36.2	Very low	121 Å²	121	134.8 Å²	134.8	65%	0.647	74%	0.74	S	S	*	*			cis	-159.2	128.6	-29.8	-108.8	-39.5	0	0	0	110.6
531	M	38.4	Very low	36.7	Very low	168 Å²	168	137.2 Å²	137.2	83%	0.828	75%	0.747	S	S	*	*			trans	52.9	-163.9	154.6	-111.6	50.2	77.1	0	0	115
532	P	38.7	Very low	36.9	Very low	116 Å²	116	137 Å²	137	75%	0.753	74%	0.741	S	S	*	*			trans	-129.6	-147.9	-157.8	41.3	-19.6	0	0	0	112.2
533	N	34.1	Very low	37.5	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	75%	0.745	S	S	*	*			trans	104.5	110.4	146.3	-160.6	35.4	0	0	0	118.4
534	S	31.1	Very low	37.6	Very low	85 Å²	85	136.6 Å²	136.6	59%	0.594	74%	0.74	S	S	*	*			trans	74.1	157.3	140.2	-76.2	0	0	0	0	122.4
535	Q	35.3	Very low	37.4	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	75%	0.745	S	S	*	*			trans	68.7	128.6	164.3	-66.4	149	27.5	0	0	116.3
536	T	30.3	Very low	37.8	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	74%	0.742	S	S	*	*			cis	75.6	81	21.2	85.1	0	0	0	0	117
537	S	37.7	Very low	37.6	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	74%	0.74	S	S	*	*			trans	-121	117	149.2	39.3	0	0	0	0	106.7
538	T	35.1	Very low	37.6	Very low	119 Å²	119	138 Å²	138	73%	0.73	75%	0.754	S	S	*	*			cis	82.1	115.5	39.2	-53.4	0	0	0	0	112.6
539	I	40.5	Very low	37.5	Very low	166 Å²	166	133.6 Å²	133.6	85%	0.851	75%	0.746	S	S	*	*			trans	146.9	137	154.5	-81.5	155.9	0	0	0	109.4
540	N	39.2	Very low	37	Very low	124 Å²	124	134.3 Å²	134.3	66%	0.663	74%	0.744	S	S	*	*			cis	-162.1	171.4	-35.9	-158.8	2.6	0	0	0	109.3
541	N	40.5	Very low	36.7	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	74%	0.744	S	S	*	*			trans	71.8	150.8	161.3	-68.4	-23.6	0	0	0	120.3
542	N	40.8	Very low	36.6	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	74%	0.74	S	S	*	*			cis	-168.6	170.2	-43.7	-124.1	-44.9	0	0	0	112
543	Q	43.7	Very low	36.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	74%	0.743	S	S	*	*			trans	91.6	95.4	163.9	-47.5	-162	12.5	0	0	120.4
544	N	39.7	Very low	36.2	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	74%	0.743	S	S	*	*				53.7	102.3	127.8	-59	-9.4	0	0	0	122.8
545	C	32.4	Very low	36.7	Very low	117 Å²	117	142.9 Å²	142.9	79%	0.791	76%	0.755	S	S	*	*				34.1	155.3	95.5	-61.1	0	0	0	0	121.3
546	P	39	Very low	37.1	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	75%	0.749	S	S	*	*			cis	-144.4	163.1	-20.2	37	-17.1	0	0	0	117.7
547	I	34.3	Very low	37.3	Very low	144 Å²	144	142.4 Å²	142.4	74%	0.738	75%	0.754	S	S	*	*			trans	36	114.1	140.3	-51.4	163.3	0	0	0	120.2	I549	I547-I549 HydrophobicContact CG2-CG1 4.37Å
548	V	37.3	Very low	37.3	Very low	150 Å²	150	145 Å²	145	91%	0.909	75%	0.752	S	S	*	*			trans	-137.9	161.2	134.8	-177.3	0	0	0	0	108.5
549	I	35.7	Very low	37.3	Very low	134 Å²	134	145 Å²	145	69%	0.687	75%	0.747	S	S	*	*			trans	-123.3	147.5	-165.8	-66	169.5	0	0	0	111.9	I547	I547-I549 HydrophobicContact CG2-CG1 4.37Å
550	E	31.7	Very low	37	Very low	155 Å²	155	147 Å²	147	72%	0.724	75%	0.746	S	S	*	*			trans	68.7	154.4	171.9	-86	178.4	-169.4	0	0	115.6
551	K	36.5	Very low	36.7	Very low	147 Å²	147	151.9 Å²	151.9	64%	0.639	76%	0.755	S	S	*	*			cis	-155.1	142.1	19	-138.5	-176.9	-148	78.3	0	112
552	Q	34.2	Very low	36.6	Very low	161 Å²	161	150.9 Å²	150.9	75%	0.752	76%	0.755	S	S	*	*			trans	38.5	142.7	143.9	-67.1	174.1	-44.1	0	0	123.8
553	H	28.9	Very low	36.4	Very low	173 Å²	173	150.2 Å²	150.2	80%	0.801	76%	0.761	S	S	*	*			trans	110.6	152.9	130.2	-132.4	-100.9	0	0	0	119.6
554	I	37.3	Very low	35.9	Very low	140 Å²	140	149.2 Å²	149.2	72%	0.718	76%	0.761	S	S	*	*			trans	73.5	108.8	169.2	-48.2	178.8	0	0	0	117.2
555	E	41.4	Very low	35.6	Very low	184 Å²	184	148 Å²	148	86%	0.86	76%	0.759	S	S	*	*			trans	-101.2	148	142.4	-173.3	-173.2	-100.7	0	0	107.1
556	P	42.4	Very low	35.8	Very low	104 Å²	104	149.9 Å²	149.9	68%	0.675	76%	0.761	S	S	*	*			trans	-124.8	164.1	154.6	36.2	-23.8	0	0	0	113
557	E	35.1	Very low	35.6	Very low	180 Å²	180	149.9 Å²	149.9	84%	0.841	76%	0.759	S	S	*	*			trans	-76.3	-151.1	173.6	-54	179	110.6	0	0	111.7
558	E	37.4	Very low	35.9	Very low	170 Å²	170	151 Å²	151	79%	0.794	77%	0.766	S	S	*	*			trans	89.5	130.4	166.8	-49.7	-155.6	173.3	0	0	116.5
559	L	34.7	Very low	35.8	Very low	119 Å²	119	148 Å²	148	62%	0.623	75%	0.752	S	S	*	*			cis	-160.3	-169.1	-9.2	-143.2	93.1	0	0	0	111.5
560	Y	34.9	Very low	36	Very low	209 Å²	209	149.1 Å²	149.1	82%	0.82	76%	0.759	S	S	*	*			trans	75.3	90.5	161.2	-72.5	-68.2	0	0	0	121.9
561	R	33.8	Very low	36.1	Very low	226 Å²	226	149.1 Å²	149.1	85%	0.853	76%	0.764	S	S	*	*				-55.7	-179.5	127.2	-104.5	-172	172.5	-167.4	-1.3	111.5
562	P	37.2	Very low	36.1	Very low	107 Å²	107	148.7 Å²	148.7	70%	0.695	77%	0.773	S	S	*	*			cis	-133.5	178.8	-36.2	39.2	-23.6	0	0	0	112.3
563	S	37.8	Very low	36.4	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	78%	0.775	S	S	*	*			trans	-146.3	147.3	156.8	47.3	0	0	0	0	111.6
564	N	31.8	Very low	36.5	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	77%	0.774	S	S	*	*			trans	-116.4	-178.4	175	-70.5	-38	0	0	0	109.1
565	T	33.7	Very low	36.5	Very low	117 Å²	117	144.2 Å²	144.2	72%	0.718	78%	0.775	S	S	*	*			trans	57.4	101.7	159.5	54.1	0	0	0	0	117.7
566	D	37.7	Very low	36.2	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	77%	0.767	S	S	*	*				-142.5	124.6	107.6	-86.6	-44.8	0	0	0	106.5
567	T	33.8	Very low	35.9	Very low	109 Å²	109	144.7 Å²	144.7	67%	0.669	78%	0.776	S	S	*	*			cis	63.1	137.8	46.5	43.9	0	0	0	0	116.3
568	L	39.9	Very low	35.9	Very low	168 Å²	168	141 Å²	141	88%	0.88	77%	0.77	S	S	*	*			trans	84.1	136.8	-173.3	-52	172.3	0	0	0	116.3
569	S	35.8	Very low	35.7	Very low	88 Å²	88	137.7 Å²	137.7	62%	0.615	77%	0.771	S	S	*	*			cis	-169	144.9	-25.5	46.7	0	0	0	0	111.6
570	N	40.1	Very low	35.7	Very low	157 Å²	157	136 Å²	136	84%	0.84	77%	0.774	S	S	*	*			trans	69	114.7	153.7	-55.9	-13.2	0	0	0	120.5
571	N	33.2	Very low	35.7	Very low	154 Å²	154	133 Å²	133	82%	0.824	78%	0.779	S	S	*	*			trans	-76.6	-168	151.6	-71.7	-28.5	0	0	0	110.8
572	V	36.5	Very low	35.7	Very low	138 Å²	138	126.1 Å²	126.1	84%	0.836	78%	0.777	S	S	*	*			trans	86.2	130.6	164.6	-177.2	0	0	0	0	113.3
573	V	40.6	Very low	35.6	Very low	129 Å²	129	124.9 Å²	124.9	78%	0.782	78%	0.784	S	S	*	*			cis	-127.8	163.1	12	-154.3	0	0	0	0	112.2
574	N	32.4	Very low	35.5	Very low	147 Å²	147	124.2 Å²	124.2	79%	0.786	79%	0.785	S	S	*	*			trans	-63.6	157.6	163.2	-51.4	-24.3	0	0	0	113.2
575	S	35.6	Very low	35.7	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	79%	0.79	S	S	*	*				173.8	121.5	114	-74.9	0	0	0	0	115.6
576	T	37	Very low	35.9	Very low	113 Å²	113	120.5 Å²	120.5	69%	0.693	80%	0.795	S	S	*	*			trans	43.7	130.7	138.2	60.6	0	0	0	0	124.1
577	Q	34.6	Very low	35.9	Very low	184 Å²	184	122.1 Å²	122.1	86%	0.86	80%	0.797	S	S	*	*			trans	71.2	153.7	139.2	-70.1	175.6	16.5	0	0	119
578	S	34.7	Very low	36.1	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	81%	0.807	S	S	*	*			cis	-168.2	140.6	-17.6	177	0	0	0	0	111.2
579	A	33.2	Very low	36.5	Very low	99 Å²	99	122.3 Å²	122.3	82%	0.818	80%	0.8	S	S	*	*			trans	56.8	177.6	166.4	0	0	0	0	0	116.7
580	A	36.4	Very low	36.9	Very low	83 Å²	83	123.3 Å²	123.3	69%	0.686	81%	0.805	S	S	*	*			cis	-147.5	133.9	-4.2	0	0	0	0	0	108.7
581	T	34	Very low	36.9	Very low	148 Å²	148	123.8 Å²	123.8	91%	0.908	81%	0.807	S	S	*	*				80.6	124.7	97.1	-55.4	0	0	0	0	117.4
582	G	34.4	Very low	37.1	Very low	80 Å²	80	127.9 Å²	127.9	83%	0.825	81%	0.811	S	S	*	*			trans	126.1	137.3	175.3	0	0	0	0	0	111.6
583	G	33.8	Very low	37.5	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	81%	0.814	S	S	*	*			cis	119.5	136.8	9.3	0	0	0	0	0	110.6
584	A	35.8	Very low	37.6	Very low	101 Å²	101	125.4 Å²	125.4	84%	0.835	82%	0.815	S	S	*	*			cis	-167.4	-179.4	-5.2	0	0	0	0	0	111.3
585	A	37.4	Very low	37.8	Very low	106 Å²	106	124.6 Å²	124.6	88%	0.876	82%	0.815	S	S	*	*			trans	82.9	146.6	155.3	0	0	0	0	0	122.4
586	G	37.2	Very low	38.1	Very low	79 Å²	79	131.5 Å²	131.5	81%	0.814	83%	0.825	S	S	*	*			trans	89.5	136.8	170.9	0	0	0	0	0	116
587	E	37.2	Very low	38.1	Very low	191 Å²	191	133.7 Å²	133.7	89%	0.893	83%	0.832	S	S	*	*			cis	-160.3	169.7	-14.6	-155.3	167.3	-167	0	0	108.9
588	L	37.5	Very low	38.3	Very low	165 Å²	165	131.9 Å²	131.9	86%	0.864	83%	0.833	S	S	*	*			trans	-122.4	-162.8	-176.4	-60	172.4	0	0	0	113.1
589	P	48.7	Very low	38.5	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	84%	0.843	S	S	*	*				-119.8	179.2	-119.3	34	-11.9	0	0	0	114.9
590	P	45.1	Very low	39.1	Very low	110 Å²	110	135 Å²	135	71%	0.714	84%	0.84	S	S	*	*			trans	-152.7	139.8	135.5	33.5	-14.2	0	0	0	119.1
591	N	38.8	Very low	39.5	Very low	166 Å²	166	137.2 Å²	137.2	89%	0.888	85%	0.847	S	S	*	*			trans	60.4	146.3	133.2	-62	-35.7	0	0	0	125.3
592	R	38.6	Very low	39.7	Very low	241 Å²	241	141.3 Å²	141.3	91%	0.909	85%	0.846	S	S	*	*			trans	-86.9	166.6	168.5	-66.4	174.8	167.4	178.5	-4.8	112
593	P	45.4	Very low	40	Very low	136 Å²	136	144.2 Å²	144.2	88%	0.883	84%	0.84	S	S	*	*				-149.5	171.4	111.3	39.5	-25	0	0	0	116.1
594	G	41.4	Very low	40.4	Very low	78 Å²	78	148.6 Å²	148.6	80%	0.804	84%	0.836	S	S	*	*			trans	121.2	119.3	154.5	0	0	0	0	0	117.3
595	V	36.4	Very low	40.5	Very low	131 Å²	131	146.9 Å²	146.9	79%	0.794	82%	0.822	S	S	*	*			trans	-133.4	138	174.5	174.4	0	0	0	0	110.1	L597	V595-L597 HydrophobicContact CG1-CG 4.47Å
596	R	42.6	Very low	40.7	Very low	249 Å²	249	145.7 Å²	145.7	94%	0.94	81%	0.812	S	S	*	*			trans	-141.4	131.9	161.4	-61.4	-172.7	78.2	155.1	2.8	110.1
597	L	36.9	Very low	41.1	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	81%	0.811	S	S	*	*			trans	-123.9	144.4	175.9	-70.6	170.9	0	0	0	109.6	V595	V595-L597 HydrophobicContact CG1-CG 4.47Å
598	T	39.4	Very low	41.4	Very low	146 Å²	146	145.8 Å²	145.8	90%	0.896	81%	0.811	S	S	*	*			trans	-146.9	140.1	166.9	-21.6	0	0	0	0	110.2
599	L	38.8	Very low	41.4	Very low	177 Å²	177	140.5 Å²	140.5	93%	0.927	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-102.3	165.2	-167.5	-74.2	162.3	0	0	0	114
600	A	46	Very low	41.1	Very low	92 Å²	92	143 Å²	143	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99.3	164.3	-172.2	0	0	0	0	0	115.1
601	P	44.3	Very low	40.6	Very low	128 Å²	128	142.8 Å²	142.8	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.7	168.2	171.9	1.6	20.4	0	0	0	114.4
602	R	37.8	Very low	40.4	Very low	234 Å²	234	140.2 Å²	140.2	88%	0.883	80%	0.798	S	S	*	*			trans	-130.4	178.2	-173.6	-63	165.9	70.8	177.1	5.2	112
603	M	40.9	Very low	40.4	Very low	141 Å²	141	136.6 Å²	136.6	70%	0.695	80%	0.796	S	S	*	*			trans	123.3	121.6	146.7	-67.1	173.1	62.8	0	0	116
604	K	42.8	Very low	39.8	Very low	174 Å²	174	133.7 Å²	133.7	76%	0.757	78%	0.784	S	S	*	*				73.3	152.1	93.8	-65.8	-169	-171.4	-179.2	0	114.2
605	A	38.4	Very low	39.4	Very low	66 Å²	66	137.8 Å²	137.8	55%	0.545	79%	0.787	S	S	.	*			cis	-164.6	-169.2	-18.7	0	0	0	0	0	106.6	W516	W516-A605 WeakPolarHBondContact CH2-O 3.47Å
606	A	40	Very low	39.5	Very low	81 Å²	81	135.7 Å²	135.7	67%	0.669	78%	0.784	S	S	*	*			cis	-156.9	177.9	10.7	0	0	0	0	0	110.7
607	P	46.7	Very low	39.2	Very low	122 Å²	122	127.8 Å²	127.8	79%	0.792	77%	0.771	S	S	*	*			trans	-114.9	157.4	-171.4	40.4	-31.2	0	0	0	117.1
608	V	43.1	Very low	39.6	Very low	149 Å²	149	125.7 Å²	125.7	90%	0.903	77%	0.767	S	S	*	*			trans	-150.7	148.6	166.5	-175.6	0	0	0	0	107.5
609	G	38.2	Very low	39.4	Very low	54 Å²	54	124.7 Å²	124.7	56%	0.557	77%	0.766	S	S	*	*			cis	147.1	150.6	-4.2	0	0	0	0	0	111.5
610	I	41	Very low	39.3	Very low	169 Å²	169	126.5 Å²	126.5	87%	0.867	76%	0.761	S	S	*	*			trans	56.6	146.3	179	67.4	167.3	0	0	0	118.3
611	S	35.3	Very low	38.8	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	76%	0.759	S	S	*	*			cis	139.2	145.6	-20.6	-81.4	0	0	0	0	110.1
612	S	34.8	Very low	38.3	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	75%	0.749	S	S	*	*			trans	71.2	158.3	164.8	-59.3	0	0	0	0	117
613	L	37.5	Very low	38.5	Very low	165 Å²	165	120.4 Å²	120.4	86%	0.864	74%	0.742	S	S	*	*			cis	-142.9	166.4	1.6	-154.8	69	0	0	0	112.5
614	A	33.6	Very low	38.1	Very low	75 Å²	75	120.5 Å²	120.5	62%	0.62	75%	0.745	S	S	*	*			trans	-38.4	148.4	177.3	0	0	0	0	0	119.9
615	N	34.1	Very low	37.4	Very low	164 Å²	164	123.1 Å²	123.1	88%	0.877	75%	0.75	S	S	*	*				176	145.5	118.9	-88.6	-28.6	0	0	0	110.6
616	A	36.7	Very low	37.2	Very low	87 Å²	87	127 Å²	127	72%	0.719	76%	0.761	S	S	*	*			cis	-155.7	151.6	-19.1	0	0	0	0	0	108.6
617	A	36.6	Very low	37	Very low	82 Å²	82	128.6 Å²	128.6	68%	0.678	77%	0.765	S	S	*	*			trans	-78.9	168.7	169.6	0	0	0	0	0	110.8
618	P	45.9	Very low	36.7	Very low	117 Å²	117	128.3 Å²	128.3	76%	0.76	76%	0.763	S	S	*	*				-137	112.3	93.7	34.8	-22.7	0	0	0	113.8	R620	P618-R620 PolarHBondContact O-N 3.19Å
619	S	35.9	Very low	36.3	Very low	125 Å²	125	129.9 Å²	129.9	87%	0.874	76%	0.76	S	S	*	*			trans	-66.1	99.4	151.8	-56.4	0	0	0	0	108
620	R	36.3	Very low	36.6	Very low	215 Å²	215	133.2 Å²	133.2	81%	0.811	77%	0.772	S	S	*	*			trans	-118.5	115.2	173.6	-115.6	-172.2	175.5	-140.3	-2.9	111.2	P618	P618-R620 PolarHBondContact O-N 3.19Å
621	T	34.7	Very low	36.4	Very low	116 Å²	116	129.6 Å²	129.6	71%	0.712	76%	0.762	S	S	*	*			trans	43.4	130.2	137.3	56.1	0	0	0	0	119.4
622	S	34.3	Very low	36.3	Very low	90 Å²	90	129.8 Å²	129.8	63%	0.629	76%	0.763	S	S	*	*			cis	-172.5	-170.2	-2.9	49.9	0	0	0	0	108.5	N624	S622-N624 PolarHBondContact O-N 3Å
623	T	42.4	Very low	36.4	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	76%	0.759	S	S	*	*			trans	49.3	71.5	148.3	49.5	0	0	0	0	116.4
624	N	31.3	Very low	36.3	Very low	144 Å²	144	127.4 Å²	127.4	77%	0.77	76%	0.755	S	S	*	*				30.9	132.3	117.9	-67.1	-42.1	0	0	0	118.7	S622	S622-N624 PolarHBondContact O-N 3Å
625	R	29.9	Very low	36.5	Very low	228 Å²	228	132 Å²	132	86%	0.86	76%	0.764	S	S	*	*			trans	67.9	121.5	144.3	-75.1	-178.5	179.4	-155	0.1	116.2
626	L	32.6	Very low	36.3	Very low	148 Å²	148	129.3 Å²	129.3	78%	0.775	76%	0.758	S	S	*	*			cis	-152.6	151.6	5.1	-74	157	0	0	0	109.4
627	P	37.4	Very low	36.2	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	77%	0.765	S	S	*	*	S	Bend	trans	-68.6	153.4	152	31.8	-32.3	0	0	0	110.1
628	P	38.4	Very low	36.1	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.2	152.2	-154	28.4	-37	0	0	0	114.7	P630	P628-P630 WeakPolarHBondContact O-CD 3.48Å
629	Q	36.2	Very low	35.9	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.8	124.4	156.7	-92.3	-157.8	-3.1	0	0	109.3	S631	Q629-S631 PolarHBondContact O-N 3.15Å
630	P	44.6	Very low	35.9	Very low	124 Å²	124	148 Å²	148	81%	0.805	78%	0.777	S	S	*	*			trans	-81.6	105.9	159.2	8.7	10.4	0	0	0	107.3	P628	P628-P630 WeakPolarHBondContact O-CD 3.48Å
631	S	35.3	Very low	36.3	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65.6	164.3	175.5	44.8	0	0	0	0	112.6	Q629	Q629-S631 PolarHBondContact O-N 3.15Å
632	S	34.4	Very low	36.7	Very low	108 Å²	108	143.5 Å²	143.5	76%	0.755	78%	0.778	S	S	*	*	S	Bend	trans	-53.6	155.3	166.5	19.8	0	0	0	0	111.9
633	P	36.8	Very low	36.8	Very low	107 Å²	107	142.7 Å²	142.7	70%	0.695	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.1	-154	26.9	-36	0	0	0	114.1	Q635	P633-Q635 PolarHBondContact O-N 3.5Å
634	P	36	Very low	36.9	Very low	121 Å²	121	144 Å²	144	79%	0.786	79%	0.791	S	S	*	*			trans	-69.1	111.8	161.4	28.9	-31.4	0	0	0	109
635	Q	36	Very low	37.4	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.804	79%	0.785	S	S	*	*			trans	-71.8	160.2	172.5	-63.5	178.3	-14.3	0	0	111.2	P633	P633-Q635 PolarHBondContact O-N 3.5Å
636	S	31.5	Very low	37.8	Very low	108 Å²	108	138 Å²	138	76%	0.755	78%	0.78	S	S	*	*			trans	71.9	155.6	172.3	89.3	0	0	0	0	115.3
637	R	34.3	Very low	38.2	Very low	230 Å²	230	138.2 Å²	138.2	87%	0.868	78%	0.781	S	S	*	*			cis	-124.7	158.8	7.7	-73.2	-174.9	170.2	-155.5	-4.3	113.6
638	Q	34	Very low	38.1	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	78%	0.782	S	S	*	*			trans	-65.4	140	170.9	-53.4	145.1	-38.9	0	0	111.3
639	I	40.9	Very low	38.1	Very low	170 Å²	170	145.8 Å²	145.8	87%	0.872	79%	0.786	S	S	*	*			trans	-132.9	136.4	150.3	-59.7	-175.3	0	0	0	108.6
640	R	37.4	Very low	38.3	Very low	214 Å²	214	144.5 Å²	144.5	81%	0.808	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.4	152.1	-162.6	-62.6	169.9	171.1	154.8	-6.2	114.8
641	P	44.9	Very low	38.4	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	78%	0.78	S	S	*	*	P	Polyproline II helix		-81.2	125.5	124.7	32.8	-27.3	0	0	0	109.9
642	P	41.2	Very low	38.6	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-93	145.5	-177.1	34.7	-33.7	0	0	0	113.8
643	G	37.8	Very low	38.7	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	78%	0.784	S	S	*	*			trans	83.7	152	173.8	0	0	0	0	0	114.2
644	V	44.8	Very low	39	Very low	146 Å²	146	148.3 Å²	148.3	89%	0.885	79%	0.789	S	S	*	*			cis	-136.1	148.4	0.8	171.2	0	0	0	0	107.8
645	P	41	Very low	39	Very low	100 Å²	100	148.4 Å²	148.4	65%	0.649	78%	0.784	S	S	*	*			trans	-113.9	178.1	-146.7	43.8	-37	0	0	0	115.6
646	I	37.6	Very low	39.5	Very low	147 Å²	147	146 Å²	146	75%	0.754	78%	0.781	S	S	*	*			trans	69.4	128.1	157.5	-68.9	157.8	0	0	0	113.5
647	L	42.3	Very low	39.7	Very low	152 Å²	152	148.2 Å²	148.2	80%	0.796	78%	0.784	S	S	*	*				-150.3	146.7	54.5	-136.5	140.9	0	0	0	111.5
648	H	34	Very low	40.3	Very low	164 Å²	164	145.8 Å²	145.8	76%	0.759	78%	0.782	S	S	*	*			trans	-92.6	148.9	174.3	-67.8	20.8	0	0	0	111.5
649	R	39.4	Very low	40.3	Very low	226 Å²	226	146.1 Å²	146.1	85%	0.853	78%	0.784	S	S	*	*			trans	-145.6	119.3	134.6	-78.9	-152.2	167	178.9	-3.7	111.6
650	H	39.2	Very low	40	Very low	153 Å²	153	143.7 Å²	143.7	71%	0.708	78%	0.782	S	S	*	*			trans	10.1	139.3	149	-28.4	-73.4	0	0	0	118.4
651	T	47.6	Very low	39.9	Very low	131 Å²	131	139.9 Å²	139.9	80%	0.804	78%	0.783	S	S	*	*			cis	-134.8	136.8	31.4	44.5	0	0	0	0	115.9
652	S	40.3	Very low	39.8	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	78%	0.783	S	S	*	*			trans	-12.6	128.7	161.5	50.5	0	0	0	0	120.6
653	P	36.7	Very low	39.6	Very low	128 Å²	128	138.6 Å²	138.6	83%	0.831	79%	0.785	S	S	*	*			trans	-74.9	147.3	141.9	34.5	-31.4	0	0	0	109.9
654	I	41.6	Very low	40	Very low	159 Å²	159	141.2 Å²	141.2	82%	0.815	79%	0.786	S	S	*	*			trans	-99.9	131.9	172.8	-65.7	178.8	0	0	0	109.2
655	D	36.4	Very low	40	Very low	124 Å²	124	141.7 Å²	141.7	66%	0.663	78%	0.784	S	S	*	*			trans	-113.6	135.3	-178.1	177.3	11.8	0	0	0	109.5	N657	D655-N657 PolarHBondContact OD1-N 2.95Å
656	T	46.1	Very low	40.3	Very low	121 Å²	121	144.2 Å²	144.2	74%	0.742	79%	0.79	S	S	*	*			trans	-141.1	53.8	171.2	61.2	0	0	0	0	112	Q658	T656-Q658 PolarHBondContact O-N 2.87Å
657	N	35.6	Very low	41	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	79%	0.787	S	S	*	*			trans	-79.4	61.4	146.7	-80.6	-62.5	0	0	0	110.3	D655	D655-N657 PolarHBondContact OD1-N 2.95Å
658	Q	47.3	Very low	41.5	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	79%	0.787	S	S	*	*			trans	-136.7	145.3	170.3	-68.6	-160	18.4	0	0	111	T656	T656-Q658 PolarHBondContact O-N 2.87Å
659	H	33.3	Very low	42.9	Very low	196 Å²	196	141.7 Å²	141.7	91%	0.907	78%	0.781	S	S	*	*			trans	-85.9	134.6	-173.3	-63.4	-110.6	0	0	0	111.2
660	S	35.4	Very low	44.5	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	76%	0.759	S	S	*	*			trans	-149.9	144.6	146.5	-165.6	0	0	0	0	110.1
661	T	35.7	Very low	46.5	Very low	134 Å²	134	129.7 Å²	129.7	82%	0.822	74%	0.741	S	S	*	*			trans	-97.4	127.3	-171.4	-54.5	0	0	0	0	110.5
662	V	43.1	Very low	48.3	Very low	136 Å²	136	124.2 Å²	124.2	82%	0.824	71%	0.707	S	S	*	*			trans	172.5	136.8	144.6	147.7	0	0	0	0	107.1
663	G	35.5	Very low	50.3	Low	73 Å²	73	127.4 Å²	127.4	75%	0.753	71%	0.712	S	S	*	*			trans	-79.4	140.1	-165.8	0	0	0	0	0	114.8
664	T	47.1	Very low	52.6	Low	128 Å²	128	126 Å²	126	79%	0.785	70%	0.701	S	S	*	*			trans	-124.8	128	158.8	49.5	0	0	0	0	109.5	I666	T664-I666 PolarHBondContact O-N 3.49Å
665	N	44.8	Very low	54.7	Low	156 Å²	156	123.2 Å²	123.2	83%	0.834	68%	0.684	S	S	*	*			trans	-68.9	117.1	-178.2	-70	-51.6	0	0	0	110.3	I667	N665-I667 PolarHBondContact O-N 3.46Å
666	I	48	Very low	57	Low	153 Å²	153	120.3 Å²	120.3	79%	0.785	67%	0.671	S	S	*	*			trans	-72.6	96.9	172.5	-59.2	178.8	0	0	0	108.2	T664 N668	T664-I666 PolarHBondContact O-N 3.49Å; I666-N668 PolarHBondContact O-N 2.79Å
667	I	51.3	Low	59	Low	136 Å²	136	123.5 Å²	123.5	70%	0.697	67%	0.669	S	S	*	*			trans	-67.7	102.1	179.5	-58.2	177.3	0	0	0	109.2	N665 M669	N665-I667 PolarHBondContact O-N 3.46Å; I667-M669 VanDerWaalsContact C-N 3.25Å; I667-M669 HydrophobicContact CG2-CG 4.38Å; I667-M669 PolarHBondContact O-N 3.23Å
668	N	53.1	Low	61.5	Low	148 Å²	148	121.5 Å²	121.5	79%	0.791	66%	0.658	S	S	*	*			trans	-66.4	81.2	169.3	-85.3	-32.7	0	0	0	110.5	I666 P670	I666-N668 PolarHBondContact O-N 2.79Å; N668-P670 WeakPolarHBondContact O-CD 3.28Å
669	M	62.4	Low	63.4	Low	126 Å²	126	118.4 Å²	118.4	62%	0.621	64%	0.644	S	S	*	*			trans	-59.3	119.4	170.2	-79.5	-105.7	77.1	0	0	109.9	I667 M671	I667-M669 VanDerWaalsContact C-N 3.25Å; I667-M669 HydrophobicContact CG2-CG 4.38Å; I667-M669 PolarHBondContact O-N 3.23Å; M669-M671 PolarHBondContact O-N 2.89Å
670	P	74.8	Confident	65.9	Low	62 Å²	62	111.9 Å²	111.9	40%	0.403	62%	0.624	S	S	.	*			trans	-73	105.1	-176.8	27.4	-33.9	0	0	0	111.5	V490 N668 T672	V490-P670 HydrophobicContact CB-CB 4.46Å; V490-P670 HydrophobicContact CG2-CB 3.79Å; N668-P670 WeakPolarHBondContact O-CD 3.28Å; P670-T672 PolarHBondContact O-N 3.46Å
671	M	80.1	Confident	68.2	Low	65 Å²	65	111.6 Å²	111.6	32%	0.32	61%	0.609	S	S	.	*			trans	-53.1	128.4	178.1	-174.5	-177.6	-63	0	0	110.8	G489 M669 Q675 V676 Q679	G489-M671 WeakPolarHBondContact CA-O 3.11Å; M669-M671 PolarHBondContact O-N 2.89Å; M671-Q675 HydrophobicContact CG-CB 3.36Å; M671-Q675 HydrophobicContact CG-CG 4.43Å; M671-Q675 HydrophobicContact SD-CB 4.05Å; M671-V676 HydrophobicContact CB-CG2 4.03Å; M671-V676 HydrophobicContact CG-CG2 3.85Å; M671-V676 HydrophobicContact SD-CG2 3.94Å; M671-Q679 HydrophobicContact SD-CB 4.23Å; M671-Q679 PolarHBondContact SD-OE1 2.99Å; M671-Q679 VanDerWaalsContact SD-OE1 3.41Å
672	T	85.3	Confident	70.6	Confident	17 Å²	17	108.2 Å²	108.2	10%	0.104	60%	0.595	C	S	.	*			trans	-63.9	153.5	-171.5	75.3	0	0	0	0	112.2	R487 P670 T674 Q675 V676	R487-T672 HydrophobicContact CB-CG2 4.14Å; R487-T672 HydrophobicContact CG-CG2 3.87Å; P670-T672 PolarHBondContact O-N 3.46Å; T672-T674 PolarHBondContact O-N 3.16Å; T672-T674 VanDerWaalsContact O-N 3.09Å; T672-T674 PolarHBondContact OG1-OG1 2.85Å; T672-Q675 HydrophobicContact CG2-CG 4.5Å; T672-Q675 CarbonylContact O-C 3.58Å; T672-Q675 WeakPolarHBondContact O-CA 3.38Å; T672-Q675 PolarHBondContact O-N 3.05Å; T672-Q675 WeakPolarHBondContact OG1-CB 3.21Å; T672-Q675 VanDerWaalsContact OG1-CG 3.31Å; T672-Q675 WeakPolarHBondContact OG1-CG 3.36Å; T672-Q675 PolarHBondContact OG1-N 3.44Å; T672-V676 WeakPolarHBondContact O-CG2 3.48Å; T672-V676 PolarHBondContact O-N 2.76Å
673	Q	83.1	Confident	72.7	Confident	160 Å²	160	104 Å²	104	75%	0.748	57%	0.574	S	S	*	*	H	α-helix	trans	-52.6	-35.4	176.1	-165.4	-171.2	30.4	0	0	113	G488 R677	G488-Q673 PolarHBondContact O-N 3.04Å; Q673-R677 WeakPolarHBondContact O-CB 3.19Å; Q673-R677 PolarHBondContact O-N 3.26Å
674	T	83.8	Confident	75.1	Confident	98 Å²	98	103.1 Å²	103.1	60%	0.601	56%	0.56	S	S	*	*	H	α-helix	trans	-69.8	-40.7	173.4	46	0	0	0	0	113.3	T672 R677 L678	T672-T674 PolarHBondContact O-N 3.16Å; T672-T674 VanDerWaalsContact O-N 3.09Å; T672-T674 PolarHBondContact OG1-OG1 2.85Å; T674-R677 PolarHBondContact O-N 3.35Å; T674-L678 WeakPolarHBondContact O-CB 3.27Å; T674-L678 VanDerWaalsContact O-CG 3.31Å; T674-L678 WeakPolarHBondContact O-CG 3.21Å; T674-L678 PolarHBondContact O-N 3.27Å
675	Q	87.5	Confident	76.9	Confident	101 Å²	101	99 Å²	99	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-67.3	-38.2	172.9	-73.9	171.7	-23.8	0	0	111.8	M671 T672 L678 Q679	M671-Q675 HydrophobicContact CG-CB 3.36Å; M671-Q675 HydrophobicContact CG-CG 4.43Å; M671-Q675 HydrophobicContact SD-CB 4.05Å; T672-Q675 HydrophobicContact CG2-CG 4.5Å; T672-Q675 CarbonylContact O-C 3.58Å; T672-Q675 WeakPolarHBondContact O-CA 3.38Å; T672-Q675 PolarHBondContact O-N 3.05Å; T672-Q675 WeakPolarHBondContact OG1-CB 3.21Å; T672-Q675 VanDerWaalsContact OG1-CG 3.31Å; T672-Q675 WeakPolarHBondContact OG1-CG 3.36Å; T672-Q675 PolarHBondContact OG1-N 3.44Å; Q675-L678 PolarHBondContact O-N 3.48Å; Q675-Q679 VanDerWaalsContact O-CB 3.25Å; Q675-Q679 WeakPolarHBondContact O-CB 3.33Å; Q675-Q679 PolarHBondContact O-N 3.05Å
676	V	84	Confident	78.9	Confident	63 Å²	63	94.2 Å²	94.2	38%	0.382	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-41.3	173.1	173.9	0	0	0	0	110.3	M671 T672 Q679 A680	M671-V676 HydrophobicContact CB-CG2 4.03Å; M671-V676 HydrophobicContact CG-CG2 3.85Å; M671-V676 HydrophobicContact SD-CG2 3.94Å; T672-V676 WeakPolarHBondContact O-CG2 3.48Å; T672-V676 PolarHBondContact O-N 2.76Å; V676-Q679 PolarHBondContact O-N 3.48Å; V676-A680 WeakPolarHBondContact O-CB 2.94Å; V676-A680 PolarHBondContact O-N 3.3Å
677	R	87.2	Confident	80.7	Confident	188 Å²	188	92.1 Å²	92.1	71%	0.709	51%	0.511	S	S	*	.	H	α-helix	trans	-63.2	-47	173.1	-176.6	172.8	177.9	145.2	0.4	111.6	Q673 T674 Q679 A680 E681	Q673-R677 WeakPolarHBondContact O-CB 3.19Å; Q673-R677 PolarHBondContact O-N 3.26Å; T674-R677 PolarHBondContact O-N 3.35Å; R677-Q679 PolarHBondContact O-N 3.21Å; R677-A680 PolarHBondContact O-N 2.88Å; R677-E681 VanDerWaalsContact O-CB 3.22Å; R677-E681 WeakPolarHBondContact O-CB 3.25Å; R677-E681 PolarHBondContact O-N 2.77Å
678	L	87.9	Confident	82.4	Confident	113 Å²	113	90.1 Å²	90.1	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-66.2	-34.8	177.6	-72.9	168.7	0	0	0	112.6	T674 Q675 A682	T674-L678 WeakPolarHBondContact O-CB 3.27Å; T674-L678 VanDerWaalsContact O-CG 3.31Å; T674-L678 WeakPolarHBondContact O-CG 3.21Å; T674-L678 PolarHBondContact O-N 3.27Å; Q675-L678 PolarHBondContact O-N 3.48Å; L678-A682 WeakPolarHBondContact O-CB 3.06Å; L678-A682 PolarHBondContact O-N 3.37Å
679	Q	88.3	Confident	83.9	Confident	114 Å²	114	87 Å²	87	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-72.3	-38.6	174	-166.9	-173.1	39	0	0	111.1	M671 Q675 V676 R677 A683	M671-Q679 HydrophobicContact SD-CB 4.23Å; M671-Q679 PolarHBondContact SD-OE1 2.99Å; M671-Q679 VanDerWaalsContact SD-OE1 3.41Å; Q675-Q679 VanDerWaalsContact O-CB 3.25Å; Q675-Q679 WeakPolarHBondContact O-CB 3.33Å; Q675-Q679 PolarHBondContact O-N 3.05Å; V676-Q679 PolarHBondContact O-N 3.48Å; R677-Q679 PolarHBondContact O-N 3.21Å; Q679-A683 WeakPolarHBondContact O-CB 3.27Å; Q679-A683 PolarHBondContact O-N 3.05Å
680	A	85.7	Confident	85.2	Confident	59 Å²	59	89 Å²	89	49%	0.488	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-37.5	173.8	0	0	0	0	0	111.7	V676 R677 A683 A684	V676-A680 WeakPolarHBondContact O-CB 2.94Å; V676-A680 PolarHBondContact O-N 3.3Å; R677-A680 PolarHBondContact O-N 2.88Å; A680-A683 PolarHBondContact O-N 3.2Å; A680-A684 WeakPolarHBondContact O-CB 3.41Å; A680-A684 PolarHBondContact O-N 2.84Å
681	E	84.7	Confident	85.7	Confident	114 Å²	114	91 Å²	91	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-71.1	-42.8	175.2	-171.5	169.3	167.6	0	0	111.3	R677 A683 A684 A685	R677-E681 VanDerWaalsContact O-CB 3.22Å; R677-E681 WeakPolarHBondContact O-CB 3.25Å; R677-E681 PolarHBondContact O-N 2.77Å; E681-A683 PolarHBondContact O-N 3.36Å; E681-A684 PolarHBondContact O-N 2.64Å; E681-A685 VanDerWaalsContact O-CB 3.25Å; E681-A685 WeakPolarHBondContact O-CB 3.29Å; E681-A685 PolarHBondContact O-N 2.7Å
682	A	85.3	Confident	86	Confident	62 Å²	62	95.1 Å²	95.1	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-35.7	171.8	0	0	0	0	0	112.4	L678 A686	L678-A682 WeakPolarHBondContact O-CB 3.06Å; L678-A682 PolarHBondContact O-N 3.37Å; A682-A686 WeakPolarHBondContact O-CB 3.33Å; A682-A686 PolarHBondContact O-N 3.42Å
683	A	87.1	Confident	86.1	Confident	47 Å²	47	103.2 Å²	103.2	39%	0.388	53%	0.526	S	S	.	.	H	α-helix	trans	-72.5	-37.9	174.2	0	0	0	0	0	111.8	Q679 A680 E681 A686 L687	Q679-A683 WeakPolarHBondContact O-CB 3.27Å; Q679-A683 PolarHBondContact O-N 3.05Å; A680-A683 PolarHBondContact O-N 3.2Å; E681-A683 PolarHBondContact O-N 3.36Å; A683-A686 PolarHBondContact O-N 2.72Å; A683-L687 VanDerWaalsContact O-CB 3.31Å; A683-L687 WeakPolarHBondContact O-CB 3.18Å; A683-L687 VanDerWaalsContact O-CG 3.27Å; A683-L687 WeakPolarHBondContact O-CG 3.44Å; A683-L687 PolarHBondContact O-N 2.69Å
684	A	86.5	Confident	86.3	Confident	56 Å²	56	102.5 Å²	102.5	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-43.8	172.7	0	0	0	0	0	110.9	A680 E681 L687 E688	A680-A684 WeakPolarHBondContact O-CB 3.41Å; A680-A684 PolarHBondContact O-N 2.84Å; E681-A684 PolarHBondContact O-N 2.64Å; A684-L687 CarbonylContact O-C 3.5Å; A684-L687 PolarHBondContact O-N 3.4Å; A684-E688 WeakPolarHBondContact O-CB 3.39Å; A684-E688 PolarHBondContact O-N 2.77Å
685	A	85.1	Confident	86.3	Confident	41 Å²	41	100.5 Å²	100.5	34%	0.339	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-39.2	172.9	0	0	0	0	0	111.9	E681 E688 I689	E681-A685 VanDerWaalsContact O-CB 3.25Å; E681-A685 WeakPolarHBondContact O-CB 3.29Å; E681-A685 PolarHBondContact O-N 2.7Å; A685-E688 PolarHBondContact O-N 3.23Å; A685-I689 VanDerWaalsContact O-CB 3.28Å; A685-I689 WeakPolarHBondContact O-CB 3.12Å; A685-I689 WeakPolarHBondContact O-CD1 3.43Å; A685-I689 WeakPolarHBondContact O-CG1 3.32Å; A685-I689 PolarHBondContact O-N 3.2Å
686	A	86	Confident	86.1	Confident	56 Å²	56	98.6 Å²	98.6	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-37.1	173.9	0	0	0	0	0	112.1	A682 A683 R690	A682-A686 WeakPolarHBondContact O-CB 3.33Å; A682-A686 PolarHBondContact O-N 3.42Å; A683-A686 PolarHBondContact O-N 2.72Å; A686-R690 WeakPolarHBondContact O-CB 3.37Å; A686-R690 PolarHBondContact O-N 3.32Å
687	L	86.3	Confident	86.1	Confident	109 Å²	109	98.4 Å²	98.4	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-69.1	-41.2	171.9	-76.4	172.7	0	0	0	111.5	A683 A684 R690 E691	A683-L687 VanDerWaalsContact O-CB 3.31Å; A683-L687 WeakPolarHBondContact O-CB 3.18Å; A683-L687 VanDerWaalsContact O-CG 3.27Å; A683-L687 WeakPolarHBondContact O-CG 3.44Å; A683-L687 PolarHBondContact O-N 2.69Å; A684-L687 CarbonylContact O-C 3.5Å; A684-L687 PolarHBondContact O-N 3.4Å; L687-R690 CarbonylContact O-C 3.57Å; L687-R690 WeakPolarHBondContact O-CA 3.22Å; L687-R690 WeakPolarHBondContact O-CB 3.08Å; L687-R690 PolarHBondContact O-N 3.09Å; L687-R690 VanDerWaalsContact O-N 3.17Å; L687-E691 VanDerWaalsContact O-CB 3.31Å; L687-E691 WeakPolarHBondContact O-CB 3.29Å; L687-E691 PolarHBondContact O-N 3.39Å
688	E	86.3	Confident	85.6	Confident	93 Å²	93	94.1 Å²	94.1	44%	0.435	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-39.5	175.8	-161.9	-162.1	-169.1	0	0	111.1	A684 A685 R690 E691 R692	A684-E688 WeakPolarHBondContact O-CB 3.39Å; A684-E688 PolarHBondContact O-N 2.77Å; A685-E688 PolarHBondContact O-N 3.23Å; E688-R690 VanDerWaalsContact C-N 3.32Å; E688-E691 PolarHBondContact O-N 2.91Å; E688-R692 VanDerWaalsContact O-CB 3.26Å; E688-R692 WeakPolarHBondContact O-CB 3.15Å; E688-R692 VanDerWaalsContact O-CG 3.25Å; E688-R692 WeakPolarHBondContact O-CG 3.32Å; E688-R692 PolarHBondContact O-N 3.1Å; E688-R692 IonicContact OE1-CZ 2.76Å; E688-R692 IonicContact OE1-NE 2.62Å; E688-R692 PolarHBondContact OE1-NE 2.69Å; E688-R692 IonicContact OE1-NH1 3.88Å; E688-R692 IonicContact OE1-NH2 3.8Å; E688-R692 PolarHBondContact OE1-NH2 3.22Å; E688-R692 IonicContact OE2-CZ 2.7Å; E688-R692 VanDerWaalsContact OE2-CZ 3.32Å; E688-R692 IonicContact OE2-NE 2.71Å; E688-R692 IonicContact OE2-NH1 2.76Å; E688-R692 PolarHBondContact OE2-NH1 2.95Å; E688-R692 IonicContact OE2-NH2 3.17Å; E688-R692 PolarHBondContact OE2-NH2 2.78Å
689	I	85.5	Confident	85.1	Confident	83 Å²	83	91 Å²	91	43%	0.426	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-38.2	171.6	-71.1	164.4	0	0	0	110.2	A685 R693	A685-I689 VanDerWaalsContact O-CB 3.28Å; A685-I689 WeakPolarHBondContact O-CB 3.12Å; A685-I689 WeakPolarHBondContact O-CD1 3.43Å; A685-I689 WeakPolarHBondContact O-CG1 3.32Å; A685-I689 PolarHBondContact O-N 3.2Å; I689-R693 VanDerWaalsContact O-CB 3.24Å; I689-R693 WeakPolarHBondContact O-CB 3.49Å; I689-R693 WeakPolarHBondContact O-CG 3.19Å; I689-R693 PolarHBondContact O-N 3.4Å
690	R	88.4	Confident	84.6	Confident	169 Å²	169	87 Å²	87	64%	0.638	48%	0.482	S	S	*	.	H	α-helix	trans	-68.9	-35.4	174.5	-168.2	178.2	-170.5	179.9	4.5	112.2	A686 L687 E688 R694	A686-R690 WeakPolarHBondContact O-CB 3.37Å; A686-R690 PolarHBondContact O-N 3.32Å; L687-R690 CarbonylContact O-C 3.57Å; L687-R690 WeakPolarHBondContact O-CA 3.22Å; L687-R690 WeakPolarHBondContact O-CB 3.08Å; L687-R690 PolarHBondContact O-N 3.09Å; L687-R690 VanDerWaalsContact O-N 3.17Å; E688-R690 VanDerWaalsContact C-N 3.32Å; R690-R694 VanDerWaalsContact O-CB 3.27Å; R690-R694 WeakPolarHBondContact O-CB 3.15Å; R690-R694 PolarHBondContact O-N 2.73Å
691	E	85.4	Confident	84.2	Confident	102 Å²	102	88 Å²	88	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-71.8	-46	175.8	-162.4	87.8	-88.5	0	0	110.5	L687 E688 R693 R694 A695	L687-E691 VanDerWaalsContact O-CB 3.31Å; L687-E691 WeakPolarHBondContact O-CB 3.29Å; L687-E691 PolarHBondContact O-N 3.39Å; E688-E691 PolarHBondContact O-N 2.91Å; E691-R693 VanDerWaalsContact C-N 3.35Å; E691-R693 PolarHBondContact O-N 3.19Å; E691-R694 CarbonylContact O-C 3.59Å; E691-R694 WeakPolarHBondContact O-CB 3.33Å; E691-R694 PolarHBondContact O-N 3.36Å; E691-R694 VanDerWaalsContact O-N 3.15Å; E691-R694 IonicContact OE1-CZ 3.31Å; E691-R694 IonicContact OE1-NH1 2.69Å; E691-R694 PolarHBondContact OE1-NH1 2.9Å; E691-A695 VanDerWaalsContact O-CB 3.28Å; E691-A695 WeakPolarHBondContact O-CB 3.08Å; E691-A695 PolarHBondContact O-N 3.33Å
692	R	87.7	Confident	83.5	Confident	152 Å²	152	89 Å²	89	57%	0.574	48%	0.481	S	S	*	.	H	α-helix	trans	-60.2	-42.3	171.8	-74.2	171.1	177	171.5	0.6	111	E688 A695 A696	E688-R692 VanDerWaalsContact O-CB 3.26Å; E688-R692 WeakPolarHBondContact O-CB 3.15Å; E688-R692 VanDerWaalsContact O-CG 3.25Å; E688-R692 WeakPolarHBondContact O-CG 3.32Å; E688-R692 PolarHBondContact O-N 3.1Å; E688-R692 IonicContact OE1-CZ 2.76Å; E688-R692 IonicContact OE1-NE 2.62Å; E688-R692 PolarHBondContact OE1-NE 2.69Å; E688-R692 IonicContact OE1-NH1 3.88Å; E688-R692 IonicContact OE1-NH2 3.8Å; E688-R692 PolarHBondContact OE1-NH2 3.22Å; E688-R692 IonicContact OE2-CZ 2.7Å; E688-R692 VanDerWaalsContact OE2-CZ 3.32Å; E688-R692 IonicContact OE2-NE 2.71Å; E688-R692 IonicContact OE2-NH1 2.76Å; E688-R692 PolarHBondContact OE2-NH1 2.95Å; E688-R692 IonicContact OE2-NH2 3.17Å; E688-R692 PolarHBondContact OE2-NH2 2.78Å; R692-A695 PolarHBondContact O-N 3.39Å; R692-A696 WeakPolarHBondContact O-CB 3.39Å; R692-A696 PolarHBondContact O-N 3.06Å
693	R	87.1	Confident	82.5	Confident	188 Å²	188	88.3 Å²	88.3	71%	0.709	47%	0.469	S	S	*	.	H	α-helix	trans	-64.2	-41	172.1	-76.3	173.7	179.9	-169.6	1.1	112	I689 E691 A697	I689-R693 VanDerWaalsContact O-CB 3.24Å; I689-R693 WeakPolarHBondContact O-CB 3.49Å; I689-R693 WeakPolarHBondContact O-CG 3.19Å; I689-R693 PolarHBondContact O-N 3.4Å; E691-R693 VanDerWaalsContact C-N 3.35Å; E691-R693 PolarHBondContact O-N 3.19Å; R693-A697 WeakPolarHBondContact O-CB 3.29Å; R693-A697 PolarHBondContact O-N 3.17Å
694	R	87.2	Confident	81.3	Confident	144 Å²	144	95.9 Å²	95.9	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-47	174.4	178.2	-170.9	-77.8	153	-12	111.3	R690 E691 A697 E698	R690-R694 VanDerWaalsContact O-CB 3.27Å; R690-R694 WeakPolarHBondContact O-CB 3.15Å; R690-R694 PolarHBondContact O-N 2.73Å; E691-R694 CarbonylContact O-C 3.59Å; E691-R694 WeakPolarHBondContact O-CB 3.33Å; E691-R694 PolarHBondContact O-N 3.36Å; E691-R694 VanDerWaalsContact O-N 3.15Å; E691-R694 IonicContact OE1-CZ 3.31Å; E691-R694 IonicContact OE1-NH1 2.69Å; E691-R694 PolarHBondContact OE1-NH1 2.9Å; R694-A697 PolarHBondContact O-N 2.87Å; R694-E698 WeakPolarHBondContact O-CB 3.42Å; R694-E698 PolarHBondContact O-N 2.91Å
695	A	82.4	Confident	79.9	Confident	57 Å²	57	101.5 Å²	101.5	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-67.8	-40	-179.7	0	0	0	0	0	112	E691 R692 E698 A699	E691-A695 VanDerWaalsContact O-CB 3.28Å; E691-A695 WeakPolarHBondContact O-CB 3.08Å; E691-A695 PolarHBondContact O-N 3.33Å; R692-A695 PolarHBondContact O-N 3.39Å; A695-E698 PolarHBondContact O-N 3.42Å; A695-A699 VanDerWaalsContact O-CB 3.27Å; A695-A699 WeakPolarHBondContact O-CB 3.46Å; A695-A699 PolarHBondContact O-N 3.47Å
696	A	85	Confident	78.1	Confident	61 Å²	61	102 Å²	102	50%	0.504	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-43.5	172	0	0	0	0	0	111.5	R692 A699 A700	R692-A696 WeakPolarHBondContact O-CB 3.39Å; R692-A696 PolarHBondContact O-N 3.06Å; A696-A699 PolarHBondContact O-N 2.87Å; A696-A700 VanDerWaalsContact O-CB 3.27Å; A696-A700 WeakPolarHBondContact O-CB 3.48Å; A696-A700 PolarHBondContact O-N 3.17Å
697	A	82.7	Confident	76.5	Confident	59 Å²	59	108.7 Å²	108.7	49%	0.488	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-39.1	173.7	0	0	0	0	0	112.2	R693 R694 A700 N701	R693-A697 WeakPolarHBondContact O-CB 3.29Å; R693-A697 PolarHBondContact O-N 3.17Å; R694-A697 PolarHBondContact O-N 2.87Å; A697-A700 PolarHBondContact O-N 3.24Å; A697-N701 WeakPolarHBondContact O-CB 3.3Å; A697-N701 PolarHBondContact O-N 3.28Å
698	E	77	Confident	74.6	Confident	98 Å²	98	115.2 Å²	115.2	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-41.9	177.1	-164.7	-170.7	134.6	0	0	111.6	R694 A695 N701 K702	R694-E698 WeakPolarHBondContact O-CB 3.42Å; R694-E698 PolarHBondContact O-N 2.91Å; A695-E698 PolarHBondContact O-N 3.42Å; E698-N701 PolarHBondContact O-N 3.47Å; E698-K702 HydrophobicContact CG-CD 4.44Å; E698-K702 WeakPolarHBondContact O-CB 3.37Å; E698-K702 VanDerWaalsContact O-CG 3.29Å; E698-K702 WeakPolarHBondContact O-CG 3.36Å; E698-K702 PolarHBondContact O-N 2.94Å; E698-K702 WeakPolarHBondContact OE1-CE 3.22Å; E698-K702 IonicContact OE1-NZ 2.78Å; E698-K702 PolarHBondContact OE1-NZ 2.97Å
699	A	78.1	Confident	72.9	Confident	46 Å²	46	121.8 Å²	121.8	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-59.4	-49.9	171.8	0	0	0	0	0	110.7	A695 A696 N701 N703	A695-A699 VanDerWaalsContact O-CB 3.27Å; A695-A699 WeakPolarHBondContact O-CB 3.46Å; A695-A699 PolarHBondContact O-N 3.47Å; A696-A699 PolarHBondContact O-N 2.87Å; A699-N701 VanDerWaalsContact C-N 3.25Å; A699-N701 PolarHBondContact O-N 3.19Å; A699-N703 WeakPolarHBondContact O-CB 3.48Å; A699-N703 PolarHBondContact O-N 3.1Å; A699-N703 VanDerWaalsContact O-N 3.16Å; A699-N703 PolarHBondContact O-ND2 3.46Å; A699-N703 PolarHBondContact O-OD1 3.26Å
700	A	77.8	Confident	71.3	Confident	31 Å²	31	127.8 Å²	127.8	26%	0.256	57%	0.571	S	S	.	*	H	α-helix	trans	-60.8	-31.4	175.9	0	0	0	0	0	112.9	A696 A697 R704	A696-A700 VanDerWaalsContact O-CB 3.27Å; A696-A700 WeakPolarHBondContact O-CB 3.48Å; A696-A700 PolarHBondContact O-N 3.17Å; A697-A700 PolarHBondContact O-N 3.24Å; A700-R704 VanDerWaalsContact O-CB 3.29Å; A700-R704 WeakPolarHBondContact O-CB 3.24Å; A700-R704 PolarHBondContact O-N 3.07Å
701	N	76.1	Confident	69.2	Low	80 Å²	80	130 Å²	130	43%	0.428	58%	0.579	S	S	.	*	H	α-helix	trans	-88.7	-33.5	-177.2	-165.4	22.7	0	0	0	113.9	A697 E698 A699 N703 R704 R705	A697-N701 WeakPolarHBondContact O-CB 3.3Å; A697-N701 PolarHBondContact O-N 3.28Å; E698-N701 PolarHBondContact O-N 3.47Å; A699-N701 VanDerWaalsContact C-N 3.25Å; A699-N701 PolarHBondContact O-N 3.19Å; N701-N703 PolarHBondContact O-N 2.85Å; N701-R704 PolarHBondContact O-N 2.67Å; N701-R705 PolarHBondContact O-N 3.35Å; N701-R705 WeakPolarHBondContact OD1-CD 3.5Å; N701-R705 PolarHBondContact OD1-NE 2.87Å
702	K	71.1	Confident	67.8	Low	135 Å²	135	130.1 Å²	130.1	59%	0.587	59%	0.587	S	S	*	*	H	α-helix	trans	-51.8	-43.2	162.7	-78.9	165.4	179.5	158.6	0	109.9	E698	E698-K702 HydrophobicContact CG-CD 4.44Å; E698-K702 WeakPolarHBondContact O-CB 3.37Å; E698-K702 VanDerWaalsContact O-CG 3.29Å; E698-K702 WeakPolarHBondContact O-CG 3.36Å; E698-K702 PolarHBondContact O-N 2.94Å; E698-K702 WeakPolarHBondContact OE1-CE 3.22Å; E698-K702 IonicContact OE1-NZ 2.78Å; E698-K702 PolarHBondContact OE1-NZ 2.97Å
703	N	62.9	Low	65.9	Low	48 Å²	48	128.4 Å²	128.4	26%	0.257	59%	0.589	S	S	.	*	H	α-helix	trans	-73.7	-52.1	-179	-71.3	-1.3	0	0	0	111.7	S274 R275 H276 A699 N701 R705	S274-N703 CarbonylContact C-O 3.56Å; S274-N703 VanDerWaalsContact C-O 3.26Å; S274-N703 VanDerWaalsContact CA-O 3.32Å; S274-N703 WeakPolarHBondContact CA-O 3.26Å; R275-N703 HydrophobicContact CB-CB 3.45Å; R275-N703 VanDerWaalsContact CB-CB 3.45Å; R275-N703 VanDerWaalsContact CB-CG 3.48Å; R275-N703 PolarHBondContact N-O 2.97Å; R275-N703 CarbonylContact O-C 3.56Å; H276-N703 WeakPolarHBondContact O-CB 3.35Å; H276-N703 PolarHBondContact O-ND2 3.09Å; A699-N703 WeakPolarHBondContact O-CB 3.48Å; A699-N703 PolarHBondContact O-N 3.1Å; A699-N703 VanDerWaalsContact O-N 3.16Å; A699-N703 PolarHBondContact O-ND2 3.46Å; A699-N703 PolarHBondContact O-OD1 3.26Å; N701-N703 PolarHBondContact O-N 2.85Å; N703-R705 PolarHBondContact O-N 2.75Å
704	R	63.3	Low	64.3	Low	206 Å²	206	125.2 Å²	125.2	78%	0.777	59%	0.586	S	S	*	*	S	Bend	trans	-70.5	3.4	-174.9	-103.4	-179.2	166.8	170.5	-4	116.8	R275 A700 N701	R275-R704 WeakPolarHBondContact O-CA 3.37Å; R275-R704 PolarHBondContact O-N 3.02Å; A700-R704 VanDerWaalsContact O-CB 3.29Å; A700-R704 WeakPolarHBondContact O-CB 3.24Å; A700-R704 PolarHBondContact O-N 3.07Å; N701-R704 PolarHBondContact O-N 2.67Å
705	R	56.4	Low	62.9	Low	174 Å²	174	127.5 Å²	127.5	66%	0.657	60%	0.602	S	S	*	*			trans	-124.4	59.7	-176.5	-65.2	-168.2	178.2	-141.6	-6.2	116	N701 N703	N701-R705 PolarHBondContact O-N 3.35Å; N701-R705 WeakPolarHBondContact OD1-CD 3.5Å; N701-R705 PolarHBondContact OD1-NE 2.87Å; N703-R705 PolarHBondContact O-N 2.75Å
706	P	47.3	Very low	61.5	Low	51 Å²	51	129.4 Å²	129.4	33%	0.331	61%	0.612	S	S	.	*			trans	-56.9	145.5	153.6	27.7	-33.5	0	0	0	111.5	D273 S274 R708	D273-P706 HydrophobicContact CB-CB 3.9Å; D273-P706 WeakPolarHBondContact OD1-CA 3.35Å; D273-P706 WeakPolarHBondContact OD1-CB 3.43Å; S274-P706 WeakPolarHBondContact OG-CB 3.22Å; P706-R708 PolarHBondContact O-N 3.43Å
707	R	51.8	Low	59.7	Low	197 Å²	197	131.5 Å²	131.5	74%	0.743	61%	0.614	S	S	*	*	S	Bend	trans	47.1	59.2	156.9	-48.9	177.6	-166	-170.3	-0.4	119.7	D273	D273-R707 VanDerWaalsContact OD1-CG 3.32Å; D273-R707 WeakPolarHBondContact OD1-CG 3.25Å; D273-R707 PolarHBondContact OD1-N 2.96Å; D273-R707 IonicContact OD1-NE 3.49Å; D273-R707 IonicContact OD2-CZ 3.17Å; D273-R707 VanDerWaalsContact OD2-CZ 3.31Å; D273-R707 IonicContact OD2-NE 2.67Å; D273-R707 PolarHBondContact OD2-NE 2.84Å; D273-R707 IonicContact OD2-NH2 2.79Å; D273-R707 PolarHBondContact OD2-NH2 2.77Å
708	R	46.7	Very low	58.1	Low	246 Å²	246	134.4 Å²	134.4	93%	0.928	63%	0.628	S	S	*	*			trans	-169.2	100.9	149	-109.5	159.4	-175.9	-149.6	1.6	114.5	P706	P706-R708 PolarHBondContact O-N 3.43Å
709	R	50.8	Low	56.7	Low	230 Å²	230	136.6 Å²	136.6	87%	0.868	65%	0.647	S	S	*	*			trans	-163.1	113.7	148.2	-113.4	172.7	-178.9	-176.3	-2.7	109.2
710	K	51.3	Low	55.2	Low	210 Å²	210	146.3 Å²	146.3	91%	0.913	67%	0.674	S	S	*	*			trans	-69.9	157.2	171.3	-71.3	-175.2	176.1	-176.9	0	109.3
711	R	45.7	Very low	53.4	Low	215 Å²	215	148 Å²	148	81%	0.811	69%	0.694	S	S	*	*			trans	-78.8	116.2	166.5	-83.8	177.5	170.3	153.8	-7	109.2
712	T	55.5	Low	51.7	Low	104 Å²	104	155.6 Å²	155.6	64%	0.638	72%	0.717	S	S	*	*			trans	-71.2	-164.1	138	45.8	0	0	0	0	108.2	L714	T712-L714 VanDerWaalsContact C-N 3.34Å; T712-L714 PolarHBondContact O-N 3.12Å
713	D	47	Very low	50	Low	116 Å²	116	154.9 Å²	154.9	62%	0.62	73%	0.726	S	S	*	*			trans	69.1	29.9	169.6	-18.8	-28.1	0	0	0	113.2	E715	D713-E715 VanDerWaalsContact C-N 3.26Å
714	L	54.1	Low	49.1	Very low	122 Å²	122	158.1 Å²	158.1	64%	0.639	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-75.5	-15.3	172.2	-75.7	173.1	0	0	0	113.1	T712 S716 I717	T712-L714 VanDerWaalsContact C-N 3.34Å; T712-L714 PolarHBondContact O-N 3.12Å; L714-S716 VanDerWaalsContact C-N 3.32Å; L714-S716 PolarHBondContact O-N 3.23Å; L714-I717 HydrophobicContact CD2-CD1 4.29Å
715	E	58	Low	47.9	Very low	191 Å²	191	158.4 Å²	158.4	89%	0.893	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-75.3	-15.7	-176.1	-71.6	142.3	-153.3	0	0	113.7	D713	D713-E715 VanDerWaalsContact C-N 3.26Å
716	S	52.3	Low	47	Very low	97 Å²	97	159.5 Å²	159.5	68%	0.678	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-95.7	20.7	180	75.4	0	0	0	0	114	L714	L714-S716 VanDerWaalsContact C-N 3.32Å; L714-S716 PolarHBondContact O-N 3.23Å
717	I	47.3	Very low	46.5	Very low	106 Å²	106	167.2 Å²	167.2	54%	0.544	78%	0.777	S	S	.	*	S	Bend	trans	-109.6	114.5	178.4	-58.4	178.1	0	0	0	108.7	L714 V719	L714-I717 HydrophobicContact CD2-CD1 4.29Å; I717-V719 PolarHBondContact O-N 2.9Å
718	P	49.6	Very low	45.8	Very low	120 Å²	120	166.2 Å²	166.2	78%	0.779	78%	0.778	S	S	*	*			trans	-56.7	122	-179.3	-28.1	35.9	0	0	0	113.1	R720	P718-R720 PolarHBondContact O-N 3.36Å
719	V	47.3	Very low	45.3	Very low	143 Å²	143	159.1 Å²	159.1	87%	0.867	77%	0.766	S	S	*	*			trans	-79.8	90.2	-176.8	-177.3	0	0	0	0	110.6	I717	I717-V719 PolarHBondContact O-N 2.9Å
720	R	47.8	Very low	44.6	Very low	251 Å²	251	158.6 Å²	158.6	95%	0.947	77%	0.771	S	S	*	*			trans	-137.3	114.8	166.2	-88.3	179.9	159.8	135.7	-7	109.3	P718	P718-R720 PolarHBondContact O-N 3.36Å
721	G	39.4	Very low	43.9	Very low	65 Å²	65	154 Å²	154	67%	0.67	77%	0.765	S	S	*	*			cis	-174	156.5	-10.4	0	0	0	0	0	110.6
722	R	39.5	Very low	43.4	Very low	240 Å²	240	148.2 Å²	148.2	91%	0.906	76%	0.763	S	S	*	*			trans	-122.4	110.4	170.4	-90.1	-171.4	169.2	-135	0.3	109.3
723	P	37.2	Very low	42.6	Very low	121 Å²	121	148.3 Å²	148.3	79%	0.786	77%	0.768	S	S	*	*			trans	-90	127.5	174.5	32.9	-30.4	0	0	0	111.1
724	T	42.6	Very low	42.1	Very low	116 Å²	116	147 Å²	147	71%	0.712	77%	0.768	S	S	*	*			trans	-141.3	88.7	173.3	48.4	0	0	0	0	113
725	Y	37.9	Very low	41.4	Very low	211 Å²	211	149.6 Å²	149.6	83%	0.827	78%	0.777	S	S	*	*			trans	68.5	127.8	145.5	-64.7	-75.6	0	0	0	123.7
726	R	37.1	Very low	40.7	Very low	197 Å²	197	144.3 Å²	144.3	74%	0.743	77%	0.766	S	S	*	*			trans	80.7	98.1	134	-80.7	-179.3	169.9	-173.8	-3	121.5
727	R	37	Very low	40.2	Very low	214 Å²	214	145.6 Å²	145.6	81%	0.808	78%	0.775	S	S	*	*				87.2	142.8	117.2	-101	-176.3	179.8	-96.7	5	120.1
728	K	38.8	Very low	39.7	Very low	175 Å²	175	143.7 Å²	143.7	76%	0.761	78%	0.782	S	S	*	*			trans	79.3	87.1	164.2	-65.7	-173.3	174.8	-170.6	0	118.1
729	S	34.8	Very low	39.1	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	79%	0.785	S	S	*	*				46.6	104.1	125.7	58.3	0	0	0	0	120
730	F	37.3	Very low	38.6	Very low	218 Å²	218	142.3 Å²	142.3	96%	0.956	78%	0.781	S	S	*	*				-148.5	172	128.7	-91.1	-65.4	0	0	0	109.1
731	S	35.6	Very low	37.9	Very low	115 Å²	115	136 Å²	136	80%	0.804	78%	0.775	S	S	*	*			trans	-83.8	137	-147.4	-47.1	0	0	0	0	117.7
732	A	35	Very low	37.6	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	78%	0.776	S	S	*	*			trans	163	117.8	144.7	0	0	0	0	0	108.3
733	S	38.6	Very low	37.2	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	76%	0.764	S	S	*	*			cis	57.2	115.6	11.7	-62.1	0	0	0	0	114.1
734	S	36	Very low	36.8	Very low	89 Å²	89	132.3 Å²	132.3	62%	0.622	77%	0.767	S	S	*	*			cis	-156.2	161.7	3.6	-84.5	0	0	0	0	106.9
735	E	40.5	Very low	36.3	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	76%	0.764	S	S	*	*			cis	-169.2	172.1	0.8	-112.8	148.4	-134.8	0	0	105.6
736	A	43.6	Very low	36	Very low	80 Å²	80	125.4 Å²	125.4	66%	0.661	75%	0.754	S	S	*	*			cis	-149.7	165.6	-5.3	0	0	0	0	0	110.6
737	S	41.2	Very low	35.8	Very low	124 Å²	124	123.9 Å²	123.9	87%	0.867	75%	0.748	S	S	*	*			trans	16.9	145.4	141.7	-49.9	0	0	0	0	121.7
738	G	37.9	Very low	35.7	Very low	67 Å²	67	115 Å²	115	69%	0.691	72%	0.719	S	S	*	*			cis	-178.1	145.6	-0.5	0	0	0	0	0	109.9
739	S	36.6	Very low	35.9	Very low	122 Å²	122	110.2 Å²	110.2	85%	0.853	71%	0.706	S	S	*	*				89.1	81.6	66.3	-67.4	0	0	0	0	115
740	S	37	Very low	36	Very low	112 Å²	112	108.4 Å²	108.4	78%	0.783	69%	0.693	S	S	*	*			trans	-163.2	124.1	147	-82.2	0	0	0	0	108.4
741	S	32.8	Very low	36	Very low	117 Å²	117	103 Å²	103	82%	0.818	68%	0.682	S	S	*	*				75.2	130.9	60.4	-64.3	0	0	0	0	113.4
742	S	31.9	Very low	36	Very low	99 Å²	99	100.4 Å²	100.4	69%	0.692	67%	0.674	S	S	*	*			cis	-167.3	158.4	-20.2	80.8	0	0	0	0	110.8
743	S	31.8	Very low	36.4	Very low	94 Å²	94	107.1 Å²	107.1	66%	0.657	68%	0.68	S	S	*	*			trans	66	135.1	147.4	-47	0	0	0	0	121.2
744	N	29.4	Very low	36.6	Very low	157 Å²	157	107 Å²	107	84%	0.84	68%	0.679	S	S	*	*				42	147	129.5	-60.1	-14.2	0	0	0	121.3
745	S	30.8	Very low	36.9	Very low	94 Å²	94	111.8 Å²	111.8	66%	0.657	68%	0.684	S	S	*	*			cis	172	158.3	-5.6	166	0	0	0	0	106.8
746	S	32	Very low	36.9	Very low	87 Å²	87	107.6 Å²	107.6	61%	0.608	67%	0.674	S	S	*	*			trans	61.7	106.6	149.5	49.4	0	0	0	0	120.7
747	R	32.4	Very low	36.8	Very low	166 Å²	166	110.3 Å²	110.3	63%	0.626	68%	0.677	S	S	*	*				76.8	118.8	114	-73.7	173.5	159	-132.4	-25.4	121.8	E154	E154-R747 HydrophobicContact CG-CG 4.2Å; E154-R747 WeakPolarHBondContact OE1-CG 3.27Å; E154-R747 IonicContact OE1-NE 3.13Å; E154-R747 IonicContact OE2-CZ 3.42Å; E154-R747 IonicContact OE2-NE 2.83Å; E154-R747 PolarHBondContact OE2-NE 2.81Å; E154-R747 IonicContact OE2-NH2 3.09Å; E154-R747 PolarHBondContact OE2-NH2 3.03Å
748	S	36.4	Very low	36.7	Very low	28 Å²	28	109.7 Å²	109.7	20%	0.196	67%	0.673	C	S	.	*				65.6	172.1	118.6	-45.9	0	0	0	0	119.3	K151 K152 E154	K151-S748 VanDerWaalsContact CB-O 3.22Å; K151-S748 WeakPolarHBondContact CB-O 3.42Å; K151-S748 WeakPolarHBondContact CG-O 3.43Å; K152-S748 WeakPolarHBondContact O-CA 3.31Å; E154-S748 PolarHBondContact N-OG 3.4Å
749	P	41.5	Very low	36.9	Very low	74 Å²	74	110.2 Å²	110.2	48%	0.481	68%	0.678	S	S	.	*			cis	-136.5	165.9	-9.5	32.6	-11.5	0	0	0	118.7	K151 T153	K151-P749 CarbonylContact O-C 3.5Å; K151-P749 VanDerWaalsContact O-CA 3.24Å; K151-P749 WeakPolarHBondContact O-CA 3.16Å; T153-P749 HydrophobicContact CG2-CB 3.88Å
750	S	37.1	Very low	37	Very low	59 Å²	59	115.8 Å²	115.8	41%	0.413	68%	0.681	S	S	.	*			trans	89.2	121.6	161.9	-11.9	0	0	0	0	115.9	K152 T153	K152-S750 VanDerWaalsContact CG-O 3.24Å; K152-S750 WeakPolarHBondContact CG-O 3.32Å; T153-S750 VanDerWaalsContact OG1-CA 3.26Å; T153-S750 WeakPolarHBondContact OG1-CA 3.31Å; T153-S750 PolarHBondContact OG1-N 2.87Å
751	S	38.7	Very low	37.6	Very low	104 Å²	104	115 Å²	115	73%	0.727	67%	0.673	S	S	*	*				80	148.4	77.4	76.1	0	0	0	0	114.1
752	G	35.8	Very low	38.2	Very low	62 Å²	62	114.2 Å²	114.2	64%	0.639	67%	0.673	S	S	*	*			cis	155.5	170.6	-7.2	0	0	0	0	0	112.5
753	R	42.4	Very low	38.9	Very low	232 Å²	232	114.1 Å²	114.1	88%	0.875	68%	0.678	S	S	*	*			trans	66.1	112.5	170.7	-72.1	-174.6	162.9	-134.1	-9.1	117.6
754	S	43	Very low	39.7	Very low	106 Å²	106	116.4 Å²	116.4	74%	0.741	68%	0.682	S	S	*	*				96.3	161.7	93.2	-59.5	0	0	0	0	111.9
755	R	43.2	Very low	40.6	Very low	189 Å²	189	116.1 Å²	116.1	71%	0.713	67%	0.669	S	S	*	*			cis	-165.7	167.7	19.3	-155.3	175.7	-179.4	-173.1	-3	113
756	S	39.6	Very low	41.3	Very low	87 Å²	87	119.9 Å²	119.9	61%	0.608	68%	0.676	S	S	*	*			trans	73.9	163.9	146.5	37.5	0	0	0	0	121.3
757	D	41.6	Very low	42	Very low	137 Å²	137	122.3 Å²	122.3	73%	0.733	68%	0.682	S	S	*	*			cis	168.7	152.8	-33.4	-95.8	-61.7	0	0	0	108.3
758	S	39.2	Very low	42.7	Very low	111 Å²	111	120 Å²	120	78%	0.776	69%	0.688	S	S	*	*			cis	-172	150.9	-35.7	44.5	0	0	0	0	110.6
759	G	42.8	Very low	42.8	Very low	78 Å²	78	123.3 Å²	123.3	80%	0.804	72%	0.717	S	S	*	*			trans	167.8	168.6	178.1	0	0	0	0	0	112.9
760	R	38.3	Very low	42.5	Very low	239 Å²	239	123.1 Å²	123.1	90%	0.902	73%	0.729	S	S	*	*			cis	-170.3	-177.7	-4.3	-133.4	-169.9	171.7	-130.6	1.3	106.9
761	P	48.2	Very low	42.6	Very low	96 Å²	96	130.5 Å²	130.5	62%	0.623	75%	0.748	S	S	*	*			cis	-132.3	-171.8	-20.2	43.5	-26.8	0	0	0	114.9
762	A	45.4	Very low	42.4	Very low	99 Å²	99	133.2 Å²	133.2	82%	0.818	75%	0.749	S	S	*	*			trans	68.3	137.6	155.8	0	0	0	0	0	118.6
763	A	47.3	Very low	42.5	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	76%	0.756	S	S	*	*			cis	-154.1	-165	-3.7	0	0	0	0	0	109
764	I	49.5	Very low	42.5	Very low	142 Å²	142	129.3 Å²	129.3	73%	0.728	75%	0.75	S	S	*	*			cis	-143.9	-62.9	-1.9	-170.4	174.9	0	0	0	113.1
765	R	47.1	Very low	41.9	Very low	152 Å²	152	132.3 Å²	132.3	57%	0.574	76%	0.757	S	S	*	*			trans	-142.5	171.6	179.9	-24.1	-179.9	-164.9	118.7	2.4	108.3	E18	E18-R765 IonicContact OE1-NH2 3.56Å; E18-R765 IonicContact OE2-CZ 2.67Å; E18-R765 IonicContact OE2-NH1 2.75Å; E18-R765 PolarHBondContact OE2-NH1 3.11Å; E18-R765 IonicContact OE2-NH2 3.83Å; E18-R765 PolarHBondContact OE2-NH2 3.26Å
766	H	46.2	Very low	41.4	Very low	173 Å²	173	129.5 Å²	129.5	80%	0.801	76%	0.761	S	S	*	*			cis	-149.4	143.1	-2.7	-101	-67.9	0	0	0	104.9
767	N	46.8	Very low	41.1	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	76%	0.763	S	S	*	*			cis	65.4	136	7.4	-88.2	-56.5	0	0	0	117.2
768	P	47.1	Very low	40.9	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	76%	0.761	S	S	*	*			cis	-130.6	-174.8	17.3	46.1	-30.7	0	0	0	113.5
769	A	37	Very low	40.7	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	75%	0.752	S	S	*	*			cis	-148.9	165.5	0.5	0	0	0	0	0	108
770	G	36.4	Very low	40.6	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	75%	0.748	S	S	*	*			cis	173.2	169.8	-0.5	0	0	0	0	0	107.3
771	R	38.4	Very low	40.6	Very low	213 Å²	213	132.6 Å²	132.6	80%	0.804	74%	0.739	S	S	*	*			cis	-150.2	134.4	7.1	-79.9	179.2	169.7	-125.2	6.5	111
772	Q	34.4	Very low	40.5	Very low	162 Å²	162	131.4 Å²	131.4	76%	0.757	74%	0.737	S	S	*	*				75.5	146	126.6	-62.9	164.2	-23.8	0	0	122
773	A	37.7	Very low	40.4	Very low	95 Å²	95	132.4 Å²	132.4	79%	0.785	73%	0.733	S	S	*	*			trans	-96.9	-161.4	173.3	0	0	0	0	0	110.3
774	P	43.2	Very low	40.1	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	73%	0.728	S	S	*	*			cis	-136.3	162.2	26.9	45	-24.7	0	0	0	115.8
775	L	30.4	Very low	40.3	Very low	169 Å²	169	135.9 Å²	135.9	89%	0.885	73%	0.733	S	S	*	*				70	144.5	101.5	-157.6	75.7	0	0	0	117.6
776	V	32.6	Very low	40.3	Very low	131 Å²	131	135.1 Å²	135.1	79%	0.794	75%	0.751	S	S	*	*			trans	152.7	172.5	162.4	160	0	0	0	0	113.8
777	K	33.2	Very low	41	Very low	150 Å²	150	130 Å²	130	65%	0.652	75%	0.745	S	S	*	*			trans	-120.1	175.2	-172.5	-61.8	-174.9	179	-179	0	115.5
778	H	36.7	Very low	41.2	Very low	150 Å²	150	136 Å²	136	69%	0.694	76%	0.757	S	S	*	*			trans	72.8	159.2	153.4	-63.1	-50.6	0	0	0	122.5
779	D	36.6	Very low	41.3	Very low	111 Å²	111	142.2 Å²	142.2	59%	0.594	77%	0.765	S	S	*	*				-171	138.5	-55.4	-108.1	-51.2	0	0	0	114.1
780	Q	40.8	Very low	41.9	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	77%	0.774	S	S	*	*			trans	47.7	172.8	144	-66.6	177.3	84.9	0	0	122.2
781	E	37	Very low	42.5	Very low	153 Å²	153	151.5 Å²	151.5	72%	0.715	78%	0.78	S	S	*	*			cis	-149.8	-160.7	5.9	-144.9	-156.9	158	0	0	114.2	R784	E781-R784 IonicContact OE1-NH2 2.94Å
782	A	45.8	Very low	43.2	Very low	71 Å²	71	153.3 Å²	153.3	59%	0.587	79%	0.787	S	S	*	*			trans	-162.1	-175	-172.8	0	0	0	0	0	118.7	R784	A782-R784 PolarHBondContact O-NH1 3.21Å
783	V	43.6	Very low	43.9	Very low	120 Å²	120	153.4 Å²	153.4	73%	0.727	79%	0.787	S	S	*	*			trans	74.4	149.1	152	77.8	0	0	0	0	124.4
784	R	42.4	Very low	44.6	Very low	185 Å²	185	155.1 Å²	155.1	70%	0.698	78%	0.783	S	S	*	*			trans	163.2	151.8	139.7	-77.4	144.6	-160.2	104.9	-6.9	116.1	E781 A782	E781-R784 IonicContact OE1-NH2 2.94Å; A782-R784 PolarHBondContact O-NH1 3.21Å
785	P	52.2	Low	44.7	Very low	128 Å²	128	155.1 Å²	155.1	83%	0.831	78%	0.781	S	S	*	*			trans	-148.6	-175.5	-168.1	44.5	-24.8	0	0	0	121.5
786	S	48.1	Very low	45.3	Very low	135 Å²	135	154 Å²	154	94%	0.944	77%	0.771	S	S	*	*			trans	155	174.4	143.8	-161.7	0	0	0	0	121.7
787	G	59.8	Low	45.7	Very low	66 Å²	66	157.5 Å²	157.5	68%	0.68	77%	0.77	S	S	*	*			trans	-163.9	-172.9	-172.6	0	0	0	0	0	122.3
788	R	52	Low	46	Very low	264 Å²	264	156 Å²	156	100%	0.996	77%	0.773	S	S	*	*			trans	-138.4	-149.7	-164.2	-58.5	-171.6	179.2	167.5	1.2	122.9
789	R	49.9	Very low	46.1	Very low	247 Å²	247	153.9 Å²	153.9	93%	0.932	78%	0.776	S	S	*	*			trans	-164	0	-135.4	174.5	-168.8	-175	-168.6	3.4	123.3
790	R	48	Very low	46.2	Very low	259 Å²	259	156.2 Å²	156.2	98%	0.977	79%	0.788	S	S	*	*				0	165.4	0	-112.4	176.6	179.4	177.2	0.2	120.2
791	A	48.9	Very low	46.3	Very low	104 Å²	104	156.7 Å²	156.7	86%	0.86	79%	0.787	S	S	*	*			trans	-175.1	0	173.5	0	0	0	0	0	120.5
792	R	54.9	Low	46.3	Very low	251 Å²	251	155.5 Å²	155.5	95%	0.947	78%	0.782	S	S	*	*				0	-171.9	0	-112.3	174	-168.4	-155.4	0.2	121.2
793	Q	47.8	Very low	45.9	Very low	165 Å²	165	158.4 Å²	158.4	77%	0.771	79%	0.786	S	S	*	*			trans	-137.9	166.8	-146.2	-48	172.7	-111.9	0	0	125.5
794	D	53.1	Low	45.5	Very low	131 Å²	131	159.3 Å²	159.3	70%	0.701	79%	0.787	S	S	*	*			trans	72.5	162.1	133.2	-98.1	99.9	0	0	0	123.9
795	T	44.5	Very low	45.6	Very low	115 Å²	115	158.8 Å²	158.8	71%	0.706	79%	0.792	S	S	*	*			cis	-158.7	-165.4	-2.6	-152.4	0	0	0	0	115.4
796	Q	42.6	Very low	44.8	Very low	145 Å²	145	159 Å²	159	68%	0.678	79%	0.787	S	S	*	*			trans	88.5	169.3	173.8	-53	-168.5	80.3	0	0	117.9
797	R	42.1	Very low	44.3	Very low	206 Å²	206	158.5 Å²	158.5	78%	0.777	78%	0.778	S	S	*	*			cis	-145.8	-155.3	-6.1	-140.2	175.1	-140.2	-134.6	0.8	113.2
798	T	39.1	Very low	43.2	Very low	117 Å²	117	161.2 Å²	161.2	72%	0.718	78%	0.781	S	S	*	*			trans	-165.1	165.2	-166.3	39.1	0	0	0	0	112.4
799	S	39.6	Very low	42.4	Very low	106 Å²	106	154 Å²	154	74%	0.741	77%	0.766	S	S	*	*			cis	178.6	174.6	-15.8	56	0	0	0	0	113.1
800	L	38.7	Very low	41.8	Very low	161 Å²	161	151.8 Å²	151.8	84%	0.843	76%	0.758	S	S	*	*			trans	94.7	134.3	163.3	-101.8	169.9	0	0	0	121.7
801	K	41.2	Very low	41.3	Very low	162 Å²	162	148.2 Å²	148.2	70%	0.704	75%	0.745	S	S	*	*			trans	58.7	153.6	168.4	-84.9	-160.5	175.3	-127.4	0	118.4
802	E	37	Very low	40.6	Very low	127 Å²	127	150.7 Å²	150.7	59%	0.593	74%	0.738	S	S	*	*			cis	-164.2	167.7	-25.3	-132.9	166.2	-141.7	0	0	109.4
803	I	38.1	Very low	39.9	Very low	132 Å²	132	145.1 Å²	145.1	68%	0.677	73%	0.732	S	S	*	*			trans	67.2	119.6	153.5	-68.1	162.3	0	0	0	120.7
804	D	36.5	Very low	39.1	Very low	140 Å²	140	140.1 Å²	140.1	75%	0.749	72%	0.724	S	S	*	*			trans	52.6	-173.1	142.3	-60.4	-10.4	0	0	0	124.4
805	E	42.8	Very low	38	Very low	173 Å²	173	146 Å²	146	81%	0.808	74%	0.737	S	S	*	*			trans	83.1	59.5	167.5	-51.1	-152.9	179.9	0	0	119.4
806	N	36.9	Very low	37.4	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	74%	0.737	S	S	*	*				33.3	119.9	105.7	-50.1	-30.9	0	0	0	118.2
807	T	36.1	Very low	37.1	Very low	123 Å²	123	146.1 Å²	146.1	76%	0.755	74%	0.742	S	S	*	*			trans	72.5	131	159	-29.5	0	0	0	0	112.9
808	T	37.3	Very low	36.6	Very low	123 Å²	123	144.3 Å²	144.3	76%	0.755	75%	0.747	S	S	*	*				-165.4	142.2	85	-77.2	0	0	0	0	113.5
809	T	35.2	Very low	36.2	Very low	112 Å²	112	145 Å²	145	69%	0.687	75%	0.746	S	S	*	*			trans	-29.7	150.4	175	69.9	0	0	0	0	117.8
810	R	36.4	Very low	35.8	Very low	202 Å²	202	146.5 Å²	146.5	76%	0.762	75%	0.746	S	S	*	*				-157.2	129.4	116.1	-111.8	178.5	175.9	-150.4	0.8	113
811	R	37.9	Very low	35.3	Very low	183 Å²	183	145 Å²	145	69%	0.691	75%	0.749	S	S	*	*				36.3	138	128.4	-58.6	-177.9	-172.4	-174.8	-0.4	118.6
812	H	35	Very low	35.1	Very low	156 Å²	156	144.1 Å²	144.1	72%	0.722	75%	0.75	S	S	*	*			cis	-166.9	179.1	-0	-109.9	-38.2	0	0	0	109.6
813	V	39.4	Very low	35.4	Very low	134 Å²	134	144.7 Å²	144.7	81%	0.812	76%	0.757	S	S	*	*			trans	15.5	126.6	146	-174	0	0	0	0	116.9
814	G	31.4	Very low	35.7	Very low	60 Å²	60	143.6 Å²	143.6	62%	0.619	76%	0.759	S	S	*	*			cis	125.3	158.5	21.4	0	0	0	0	0	110.1
815	R	29.8	Very low	35.8	Very low	256 Å²	256	148.2 Å²	148.2	97%	0.966	77%	0.766	S	S	*	*			trans	64.8	164.6	-162.5	-57.5	178.8	162.4	-175.3	-5.2	112.1
816	S	32.2	Very low	35.9	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	76%	0.764	S	S	*	*			cis	-139.8	150.2	4	45.5	0	0	0	0	113
817	M	37	Very low	36.2	Very low	159 Å²	159	146.8 Å²	146.8	78%	0.783	76%	0.764	S	S	*	*			trans	37.3	110.1	142.3	-51.5	-57.9	-90.4	0	0	119.5	L819	M817-L819 PolarHBondContact O-N 2.71Å
818	L	30.5	Very low	36.4	Very low	168 Å²	168	146.5 Å²	146.5	88%	0.88	76%	0.758	S	S	*	*			trans	-58.7	116.5	134.3	-71.9	161.7	0	0	0	108.3
819	L	30.6	Very low	36.4	Very low	133 Å²	133	149.2 Å²	149.2	70%	0.696	76%	0.762	S	S	*	*			trans	167.8	131.8	139.3	-91.7	159	0	0	0	111.7	M817	M817-L819 PolarHBondContact O-N 2.71Å
820	N	31.4	Very low	36.6	Very low	136 Å²	136	153 Å²	153	73%	0.727	77%	0.765	S	S	*	*			trans	31	117.1	150.8	-54.5	-6	0	0	0	119.7
821	S	29.2	Very low	36.7	Very low	131 Å²	131	147.8 Å²	147.8	92%	0.916	76%	0.755	S	S	*	*			trans	-127.1	55.9	161.7	-56.2	0	0	0	0	111.5
822	I	37.4	Very low	36.7	Very low	142 Å²	142	148.2 Å²	148.2	73%	0.728	76%	0.757	S	S	*	*			trans	-136.5	125.8	154	-58.1	174.3	0	0	0	101.5
823	D	43.1	Very low	36.8	Very low	139 Å²	139	149 Å²	149	74%	0.743	76%	0.76	S	S	*	*			cis	-143.4	153.3	27.8	-125.1	-25.4	0	0	0	111.1
824	P	43.1	Very low	36.8	Very low	109 Å²	109	146.3 Å²	146.3	71%	0.708	75%	0.752	S	S	*	*	S	Bend	trans	-87.4	121.1	165.4	32.2	-27.4	0	0	0	111.6
825	R	39.6	Very low	37.1	Very low	237 Å²	237	152 Å²	152	89%	0.894	76%	0.76	S	S	*	*			trans	88.9	75.5	173.1	-53.7	172	176.7	175.1	-2.7	116.6
826	E	44.7	Very low	37.5	Very low	166 Å²	166	147 Å²	147	78%	0.776	75%	0.748	S	S	*	*				32.6	148.5	111.5	-88	-165	-131.2	0	0	121.2
827	P	43.4	Very low	37.7	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	74%	0.742	S	S	*	*			cis	-133.4	152	41.2	25.4	-2.4	0	0	0	119.6
828	L	40.3	Very low	37.7	Very low	118 Å²	118	144.7 Å²	144.7	62%	0.618	74%	0.737	S	S	*	*			trans	47.5	117.9	151.7	-75.9	85.6	0	0	0	121.4	Y830	L828-Y830 HydrophobicContact CD2-CD2 3.91Å; L828-Y830 HydrophobicContact CD2-CE2 3.57Å
829	E	35.9	Very low	37.9	Very low	179 Å²	179	144.9 Å²	144.9	84%	0.836	73%	0.731	S	S	*	*			trans	-72.9	131.7	136.8	-69.5	-171	143	0	0	110.3
830	Y	40.8	Very low	38.4	Very low	193 Å²	193	143.6 Å²	143.6	76%	0.757	73%	0.725	S	S	*	*			trans	-106.2	108.2	134	-90.3	-94.2	0	0	0	105.5	L828	L828-Y830 HydrophobicContact CD2-CD2 3.91Å; L828-Y830 HydrophobicContact CD2-CE2 3.57Å
831	V	38	Very low	38.7	Very low	91 Å²	91	144.7 Å²	144.7	55%	0.552	73%	0.726	S	S	*	*				70	129.8	80.7	168.4	0	0	0	0	112.7
832	R	37.2	Very low	38.9	Very low	192 Å²	192	150.2 Å²	150.2	73%	0.725	73%	0.727	S	S	*	*			trans	91.3	120.3	162.1	-89.3	177.9	-99.3	-144.2	-6.3	120.5
833	H	38.5	Very low	38.9	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.796	73%	0.726	S	S	*	*			trans	72.1	158.3	147.2	-52.9	-44.7	0	0	0	119.6
834	A	37.9	Very low	38.6	Very low	78 Å²	78	148.9 Å²	148.9	65%	0.645	73%	0.726	S	S	*	*			cis	178.4	146.8	-49.5	0	0	0	0	0	110
835	K	37.8	Very low	38.3	Very low	179 Å²	179	151.6 Å²	151.6	78%	0.778	73%	0.729	S	S	*	*			trans	67.5	143.6	152.9	-76.4	175.2	166.5	-166	0	120.5
836	Q	38.1	Very low	38.1	Very low	151 Å²	151	151.2 Å²	151.2	71%	0.706	73%	0.727	S	S	*	*			trans	64.7	121.1	148.2	-66.3	170	-103	0	0	116.5
837	S	36.1	Very low	37.6	Very low	84 Å²	84	149 Å²	149	59%	0.587	73%	0.726	S	S	*	*			cis	83.2	145.2	48.2	80.1	0	0	0	0	113.6
838	D	37.2	Very low	37.2	Very low	130 Å²	130	155.5 Å²	155.5	70%	0.695	74%	0.735	S	S	*	*			trans	71.8	147.8	169.6	-44.3	-57.3	0	0	0	114.7
839	F	36.5	Very low	37	Very low	172 Å²	172	152.9 Å²	152.9	75%	0.754	74%	0.737	S	S	*	*			cis	-158	159.4	-22.9	-144.1	-108.2	0	0	0	108.3
840	N	39.7	Very low	36.9	Very low	106 Å²	106	150.8 Å²	150.8	57%	0.567	74%	0.737	S	S	*	*			trans	45.3	148.9	158	-84.6	20.1	0	0	0	125.1
841	E	38.4	Very low	36.7	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.743	73%	0.733	S	S	*	*			trans	45	118.2	134.5	-61.3	163.5	153.4	0	0	120.6
842	R	33	Very low	36.8	Very low	246 Å²	246	150.7 Å²	150.7	93%	0.928	74%	0.741	S	S	*	*				74.5	58.4	66.1	-159.4	-168.3	-160.1	-129.8	4	115.2
843	S	37.3	Very low	36.8	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	74%	0.742	S	S	*	*			trans	-139.9	133.7	146.8	-166.7	0	0	0	0	107
844	M	36.4	Very low	36.9	Very low	151 Å²	151	147.4 Å²	147.4	74%	0.744	74%	0.735	S	S	*	*			cis	69	134.8	46.9	-67.5	-86	83.5	0	0	114
845	H	36.7	Very low	36.9	Very low	166 Å²	166	151.7 Å²	151.7	77%	0.769	74%	0.742	S	S	*	*			trans	68.6	125.9	-171	-51	-85.7	0	0	0	113.8
846	R	35.6	Very low	36.9	Very low	230 Å²	230	152.2 Å²	152.2	87%	0.868	74%	0.744	S	S	*	*			cis	82	134.9	40.7	-78.9	-168.4	165.8	-176.3	-3.2	114.9
847	T	35.6	Very low	37.3	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	74%	0.744	S	S	*	*			trans	74	124.5	151.2	44.1	0	0	0	0	123.1
848	R	33.7	Very low	37.4	Very low	246 Å²	246	152.4 Å²	152.4	93%	0.928	75%	0.748	S	S	*	*			trans	72.8	154	133.7	-74.7	179.2	163.3	179.1	-6.5	121.8
849	G	36.9	Very low	37.5	Very low	64 Å²	64	154.8 Å²	154.8	66%	0.66	76%	0.755	S	S	*	*			trans	92.9	127.2	165.6	0	0	0	0	0	113.6
850	T	34.6	Very low	37.7	Very low	135 Å²	135	151.3 Å²	151.3	83%	0.828	75%	0.752	S	S	*	*			cis	65.2	72.8	7.2	75.1	0	0	0	0	118.2
851	D	35.1	Very low	37.8	Very low	127 Å²	127	154.3 Å²	154.3	68%	0.679	76%	0.764	S	S	*	*				-165.3	135.8	120.1	-96.9	-34.5	0	0	0	107.3
852	Q	39.6	Very low	37.7	Very low	154 Å²	154	156.1 Å²	156.1	72%	0.72	77%	0.77	S	S	*	*				62.9	114.4	69.6	-63.5	-163	101.5	0	0	115.1
853	F	38.5	Very low	38	Very low	168 Å²	168	156.2 Å²	156.2	74%	0.737	77%	0.77	S	S	*	*				159.3	132.8	124.2	-85.2	-58.8	0	0	0	111.6
854	I	39.5	Very low	38.1	Very low	128 Å²	128	155.8 Å²	155.8	66%	0.656	77%	0.765	S	S	*	*			trans	55.8	131	132.1	-67.3	169	0	0	0	118.1
855	Q	37.8	Very low	38.1	Very low	167 Å²	167	158.2 Å²	158.2	78%	0.78	77%	0.767	S	S	*	*			cis	-146.5	144.6	5	-99.7	146.5	-2.6	0	0	106.6
856	K	38.4	Very low	38.7	Very low	191 Å²	191	156.7 Å²	156.7	83%	0.83	77%	0.773	S	S	*	*				56.4	144	66.2	-86.1	-166.1	177.6	-179.6	0	115.3
857	P	46	Very low	38.6	Very low	107 Å²	107	150.7 Å²	150.7	70%	0.695	77%	0.766	S	S	*	*			cis	-139.9	-150.5	-37.3	33.5	-10.7	0	0	0	112
858	I	39.3	Very low	38.6	Very low	131 Å²	131	148.3 Å²	148.3	67%	0.672	77%	0.765	S	S	*	*			trans	109.3	98.8	155.5	-59.9	173.8	0	0	0	117.4
859	Q	39.8	Very low	38.7	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	76%	0.761	S	S	*	*			trans	57.5	154.9	132.4	-54.1	175.2	15.3	0	0	119.6
860	S	40.9	Very low	39.1	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	77%	0.77	S	S	*	*			cis	-145.3	168.2	16.3	68.4	0	0	0	0	113.6
861	M	41.2	Very low	39.5	Very low	168 Å²	168	151.7 Å²	151.7	83%	0.828	77%	0.774	S	S	*	*			trans	40.7	103.8	155	-52.5	-129.6	-76	0	0	117.3
862	K	36.8	Very low	39.8	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.857	78%	0.777	S	S	*	*			cis	46.9	101.6	42.8	-94.8	-170	-179.6	-176.1	0	113.8
863	R	39.4	Very low	39.7	Very low	248 Å²	248	150.9 Å²	150.9	94%	0.936	78%	0.778	S	S	*	*			trans	-144.9	135	134.8	-122.3	179.8	-171	-151.1	-0.3	111.6
864	P	38.3	Very low	39.7	Very low	94 Å²	94	148 Å²	148	61%	0.61	77%	0.773	S	S	*	*			trans	-138.2	179.8	-165.9	37.3	-15.4	0	0	0	116.2
865	Y	37.1	Very low	39.6	Very low	201 Å²	201	151.9 Å²	151.9	79%	0.788	78%	0.78	S	S	*	*			trans	63.3	173.1	170	-59	-67.3	0	0	0	114.2
866	P	49	Very low	39.6	Very low	135 Å²	135	152.3 Å²	152.3	88%	0.877	78%	0.782	S	S	*	*				-108.5	154.6	56.5	-1.6	22.9	0	0	0	114.8
867	S	32.8	Very low	39.5	Very low	104 Å²	104	154.6 Å²	154.6	73%	0.727	79%	0.785	S	S	*	*			trans	-119.3	135.6	155.4	57.1	0	0	0	0	107.9
868	G	35.5	Very low	39.3	Very low	69 Å²	69	154.7 Å²	154.7	71%	0.711	79%	0.786	S	S	*	*			trans	124.2	133.9	148.1	0	0	0	0	0	118.8
869	V	36.9	Very low	39.1	Very low	141 Å²	141	157.9 Å²	157.9	86%	0.855	80%	0.798	S	S	*	*			trans	64.8	99.3	139.1	-158.5	0	0	0	0	118.4
870	E	44.5	Very low	39.5	Very low	182 Å²	182	161.4 Å²	161.4	85%	0.85	80%	0.803	S	S	*	*				-163.4	158.1	110.9	-113.3	173	179.8	0	0	113.2
871	E	43.6	Very low	39.2	Very low	193 Å²	193	163.8 Å²	163.8	90%	0.902	81%	0.808	S	S	*	*			trans	54.2	155.7	168.3	-61.2	-146.1	109.4	0	0	123.4
872	M	40.3	Very low	39	Very low	153 Å²	153	159.5 Å²	159.5	75%	0.754	80%	0.795	S	S	*	*			trans	-109.8	147.2	-176.9	-113.6	-90.5	-68.1	0	0	108.4	V874	M872-V874 HydrophobicContact CE-CG2 4.36Å; M872-V874 PolarHBondContact SD-N 2.73Å
873	P	38.7	Very low	38.8	Very low	112 Å²	112	161 Å²	161	73%	0.727	80%	0.795	S	S	*	*				-145.8	147.9	85.9	36.6	-20.5	0	0	0	116.5
874	V	39	Very low	39	Very low	106 Å²	106	157 Å²	157	64%	0.642	79%	0.791	S	S	*	*	S	Bend	trans	51.7	113.4	138.7	179.9	0	0	0	0	116.9	M872	M872-V874 HydrophobicContact CE-CG2 4.36Å; M872-V874 PolarHBondContact SD-N 2.73Å
875	R	36.2	Very low	39.1	Very low	210 Å²	210	158.7 Å²	158.7	79%	0.792	80%	0.803	S	S	*	*			cis	-162.1	130.1	12.1	-127.2	175.1	-176	174.5	-0.7	111
876	Q	38.4	Very low	39.1	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.822	80%	0.801	S	S	*	*			trans	64	146.9	158.9	-56.1	173.7	3.5	0	0	118.9
877	R	36.9	Very low	38.7	Very low	239 Å²	239	150.6 Å²	150.6	90%	0.902	80%	0.795	S	S	*	*			cis	-161.7	168.5	-39.4	-126.4	-161.6	167.2	159	-2.5	107.2
878	P	40.5	Very low	39	Very low	110 Å²	110	154.4 Å²	154.4	71%	0.714	80%	0.801	S	S	*	*				-120.8	162.5	-113.4	40	-25.4	0	0	0	116.4
879	E	36.1	Very low	39.1	Very low	197 Å²	197	161.4 Å²	161.4	92%	0.921	81%	0.808	S	S	*	*			trans	-84.3	167.3	158.8	-68.2	-162.6	139.7	0	0	112
880	R	48	Very low	39.7	Very low	255 Å²	255	159.7 Å²	159.7	96%	0.962	80%	0.8	S	S	*	*			trans	-143.9	129.9	-178.3	-157.5	-178.5	-163.7	-172.8	5.2	110.7
881	D	34.6	Very low	39.3	Very low	149 Å²	149	158.1 Å²	158.1	80%	0.797	80%	0.797	S	S	*	*			trans	-116.8	144.9	-158.6	-170.9	18.2	0	0	0	115
882	S	36.2	Very low	39.4	Very low	78 Å²	78	154 Å²	154	55%	0.545	79%	0.787	S	S	.	*			trans	73.8	156.4	154.6	80.9	0	0	0	0	121.9
883	R	33	Very low	39.1	Very low	229 Å²	229	151.8 Å²	151.8	86%	0.864	79%	0.787	S	S	*	*			trans	92.3	90.6	155.9	-60.9	167.1	-157.3	-146.6	2.6	121
884	L	44.6	Very low	39.1	Very low	163 Å²	163	151.8 Å²	151.8	85%	0.853	78%	0.784	S	S	*	*				-74.7	161.5	121.6	-76.5	177.1	0	0	0	108.8
885	P	38.6	Very low	39.1	Very low	131 Å²	131	153.3 Å²	153.3	85%	0.851	79%	0.789	S	S	*	*			cis	-148.2	173.4	41.1	43.2	-23.5	0	0	0	118.8
886	G	37.5	Very low	39.1	Very low	72 Å²	72	150.5 Å²	150.5	74%	0.742	79%	0.785	S	S	*	*			trans	-157.3	170.6	157.4	0	0	0	0	0	109.5
887	A	41.2	Very low	39.2	Very low	93 Å²	93	147.2 Å²	147.2	77%	0.769	77%	0.772	S	S	*	*			cis	-165.9	157.3	-18.6	0	0	0	0	0	108.2
888	H	37.9	Very low	39.3	Very low	184 Å²	184	143.5 Å²	143.5	85%	0.852	77%	0.765	S	S	*	*			trans	-152.7	128.6	161	-88.8	-39.6	0	0	0	109.5
889	Y	38.8	Very low	39	Very low	216 Å²	216	148.8 Å²	148.8	85%	0.847	77%	0.771	S	S	*	*				-170.5	169.2	111.5	-107.4	-104.2	0	0	0	105.9
890	P	50.2	Low	39.1	Very low	105 Å²	105	146.2 Å²	146.2	68%	0.682	77%	0.768	S	S	*	*			trans	-131.2	-131.7	-130.6	44.3	-27.2	0	0	0	113.3
891	N	35.6	Very low	38.5	Very low	149 Å²	149	137.5 Å²	137.5	80%	0.797	76%	0.757	S	S	*	*			trans	88.2	153.9	173.8	-84.4	5.2	0	0	0	117.4
892	P	44.5	Very low	38.5	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	76%	0.76	S	S	*	*			trans	-132.7	-154.9	-131.6	45.6	-29.7	0	0	0	114.1
893	S	34.8	Very low	39.1	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	76%	0.761	S	S	*	*			trans	74	155.1	177.1	79.2	0	0	0	0	114.5
894	V	38.4	Very low	39.3	Very low	112 Å²	112	135.9 Å²	135.9	68%	0.679	76%	0.759	S	S	*	*			cis	-143.8	164	-3.7	-131.9	0	0	0	0	108.4
895	D	38.7	Very low	38.9	Very low	139 Å²	139	132.6 Å²	132.6	74%	0.743	75%	0.75	S	S	*	*			trans	59.4	160.3	149.4	-57	-23.9	0	0	0	119.1
896	E	37.5	Very low	38.8	Very low	151 Å²	151	136.4 Å²	136.4	71%	0.706	75%	0.747	S	S	*	*			cis	-152.4	177.5	-15.1	-130.6	-162.7	131.6	0	0	110.9
897	L	40.3	Very low	38.8	Very low	106 Å²	106	143 Å²	143	56%	0.555	75%	0.75	S	S	*	*			trans	50.6	109.2	148.7	-64.4	164.4	0	0	0	121.6
898	H	38.7	Very low	38.4	Very low	162 Å²	162	144.7 Å²	144.7	75%	0.75	75%	0.75	S	S	*	*				61.2	153.7	121.7	-60.5	168.7	0	0	0	120.1
899	R	34.5	Very low	37.9	Very low	221 Å²	221	140.2 Å²	140.2	83%	0.834	75%	0.745	S	S	*	*			cis	-159.3	156.9	13.5	-137.4	166.3	-178	174.1	-0.3	110
900	V	36.9	Very low	37.6	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	74%	0.744	S	S	*	*			trans	19	133.3	145.8	177.9	0	0	0	0	119.4
901	G	36.7	Very low	36.7	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	74%	0.743	S	S	*	*			cis	165.1	-161.8	1.6	0	0	0	0	0	115.7
902	N	33.6	Very low	36.4	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	74%	0.741	S	S	*	*			trans	-53.5	169.9	174.6	-116.5	19.1	0	0	0	114.8
903	P	48.7	Very low	35.7	Very low	86 Å²	86	139.1 Å²	139.1	56%	0.558	74%	0.742	S	S	*	*			cis	-140.9	-159.1	-34.4	35.8	-14.1	0	0	0	113.4
904	E	37.6	Very low	35.8	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	75%	0.747	S	S	*	*			trans	80.8	111.4	141.3	-86.5	171.3	-143.8	0	0	123
905	S	35.4	Very low	35.6	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	75%	0.751	S	S	*	*				68.4	106.8	118.1	-159.3	0	0	0	0	119.6
906	R	37.4	Very low	35.6	Very low	211 Å²	211	142.2 Å²	142.2	80%	0.796	75%	0.752	S	S	*	*				-176.4	155.5	105.5	-96.8	154.9	-169	-146.5	1.2	113.8
907	R	36.5	Very low	35.9	Very low	211 Å²	211	140.7 Å²	140.7	80%	0.796	75%	0.753	S	S	*	*			trans	58.6	101.1	147.7	-71.4	174.9	179.8	-151.9	-3.8	117.7
908	T	32.9	Very low	36	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	76%	0.762	S	S	*	*				73	100.9	81.9	61.2	0	0	0	0	116.2
909	A	29.2	Very low	36.2	Very low	91 Å²	91	142.3 Å²	142.3	75%	0.752	76%	0.755	S	S	*	*			trans	74.3	164.2	132.8	0	0	0	0	0	120.8
910	V	31	Very low	36.3	Very low	135 Å²	135	141.3 Å²	141.3	82%	0.818	75%	0.752	S	S	*	*			trans	76.4	147.7	170.2	-165.9	0	0	0	0	115.8
911	S	32.4	Very low	36.5	Very low	95 Å²	95	140.6 Å²	140.6	66%	0.664	74%	0.741	S	S	*	*			trans	63.2	118.2	176.9	-68.3	0	0	0	0	117.2
912	Q	29.7	Very low	36.6	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	74%	0.736	S	S	*	*				88.2	137.9	50.2	-77.1	-173.9	7.1	0	0	114
913	F	28.2	Very low	36.7	Very low	162 Å²	162	145.2 Å²	145.2	71%	0.711	73%	0.732	S	S	*	*			trans	36.5	101.1	158.1	-60	-65.6	0	0	0	119.3
914	N	37.5	Very low	36.1	Very low	158 Å²	158	146.4 Å²	146.4	85%	0.845	74%	0.74	S	S	*	*				-166.7	131.2	101.4	-86.3	-39.9	0	0	0	109.2
915	M	34	Very low	35.9	Very low	157 Å²	157	149 Å²	149	77%	0.773	74%	0.742	S	S	*	*			cis	87.2	93.4	38.5	-68.5	-70.4	-77.5	0	0	114.6
916	S	39	Very low	36.1	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	75%	0.745	S	S	*	*			trans	-155.3	98.2	149.2	60.1	0	0	0	0	111.8
917	T	43.6	Very low	36.4	Very low	119 Å²	119	144.7 Å²	144.7	73%	0.73	74%	0.737	S	S	*	*			trans	38.6	134	132.8	52.5	0	0	0	0	120.2
918	K	43.2	Very low	36.3	Very low	171 Å²	171	143.7 Å²	143.7	74%	0.743	74%	0.741	S	S	*	*			cis	-158.4	146.4	22.4	-116.1	154.1	-178.3	176.9	0	111.9
919	E	42.3	Very low	36.4	Very low	130 Å²	130	140.4 Å²	140.4	61%	0.607	73%	0.733	S	S	*	*			trans	30.7	145.3	130.2	-57.5	-172	120.1	0	0	120.6
920	R	36.9	Very low	36.8	Very low	201 Å²	201	143.7 Å²	143.7	76%	0.758	74%	0.737	S	S	*	*			cis	-171	154.7	-0.5	-105.9	177.6	-153.1	-147.4	12.3	104.5
921	I	40.4	Very low	37.2	Very low	127 Å²	127	143.3 Å²	143.3	65%	0.651	73%	0.726	S	S	*	*			cis	-159.8	143.1	-0.9	-136.3	166.3	0	0	0	108.5
922	I	38	Very low	37.3	Very low	119 Å²	119	147.9 Å²	147.9	61%	0.61	74%	0.74	S	S	*	*			trans	50	125.7	151.2	-64.8	165.8	0	0	0	119
923	R	36.8	Very low	37.7	Very low	212 Å²	212	145.8 Å²	145.8	80%	0.8	73%	0.732	S	S	*	*			cis	-157.8	172.1	1.4	-111.9	175	-166.9	122.8	-0.2	109.4
924	P	35.6	Very low	38	Very low	110 Å²	110	145.1 Å²	145.1	71%	0.714	74%	0.736	S	S	*	*			trans	-80.3	165.4	-160.7	37.5	-40.7	0	0	0	114.2
925	R	34.6	Very low	37.8	Very low	229 Å²	229	145.2 Å²	145.2	86%	0.864	73%	0.729	S	S	*	*				52	136.6	60.7	-78.3	179.7	172.6	153.5	-2.7	112
926	T	39.2	Very low	37.9	Very low	119 Å²	119	149.6 Å²	149.6	73%	0.73	74%	0.737	S	S	*	*			cis	-155.1	149.6	9.7	-0.8	0	0	0	0	110.3
927	P	42.3	Very low	37.9	Very low	97 Å²	97	148.4 Å²	148.4	63%	0.63	73%	0.729	S	S	*	*			trans	-87.6	170	149.4	35.4	-30.7	0	0	0	111.4
928	H	35.1	Very low	37.6	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.875	74%	0.737	S	S	*	*			trans	79.9	161.5	-179	-49.8	-76.1	0	0	0	116.7
929	G	35	Very low	37.2	Very low	59 Å²	59	151.5 Å²	151.5	61%	0.608	74%	0.74	S	S	*	*			trans	102.7	115.9	-150.6	0	0	0	0	0	108.2
930	L	37.9	Very low	37.4	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	74%	0.74	S	S	*	*			cis	59.8	140.9	48	-61	91.9	0	0	0	111.3
931	E	40.5	Very low	37.5	Very low	128 Å²	128	148.6 Å²	148.6	60%	0.598	74%	0.742	S	S	*	*			cis	-139.4	144.5	30	-68.7	165.4	155.8	0	0	114.7	I933 F935	E931-I933 HydrophobicContact CB-CB 4.44Å; E931-F935 WeakPolarHBondContact OE2-CE2 3.26Å
932	M	32.5	Very low	37.4	Very low	191 Å²	191	146.4 Å²	146.4	94%	0.941	74%	0.743	S	S	*	*			trans	-96.5	104.2	135.5	-90.1	-177.2	63.3	0	0	106.1
933	I	39.7	Very low	37.5	Very low	117 Å²	117	147.9 Å²	147.9	60%	0.6	75%	0.753	S	S	*	*	S	Bend	trans	-164.2	144.8	166.2	-99.2	139.5	0	0	0	107.6	E931 F935	E931-I933 HydrophobicContact CB-CB 4.44Å; I933-F935 HydrophobicContact CG2-CD2 4.45Å; I933-F935 HydrophobicContact CG2-CE2 4.01Å; I933-F935 HydrophobicContact CG2-CZ 4.48Å
934	D	33.7	Very low	37.6	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	75%	0.752	S	S	*	*			trans	-74.2	123.9	-175.2	-65.4	-85.4	0	0	0	113.4
935	F	34.6	Very low	37.8	Very low	160 Å²	160	145.1 Å²	145.1	70%	0.702	75%	0.752	S	S	*	*			trans	-115.5	79.4	162.2	-78.3	-70.2	0	0	0	111.9	E931 I933 S937	E931-F935 WeakPolarHBondContact OE2-CE2 3.26Å; I933-F935 HydrophobicContact CG2-CD2 4.45Å; I933-F935 HydrophobicContact CG2-CE2 4.01Å; I933-F935 HydrophobicContact CG2-CZ 4.48Å; F935-S937 PolarHBondContact O-N 3.1Å
936	R	35.6	Very low	38	Very low	249 Å²	249	141.7 Å²	141.7	94%	0.94	75%	0.749	S	S	*	*			trans	-71.4	45.8	171.8	-114.1	-173.4	171.2	-134.5	-0.4	113.4
937	S	37.6	Very low	37.9	Very low	83 Å²	83	143.5 Å²	143.5	58%	0.58	75%	0.753	S	S	*	*			trans	-173.2	115.3	165.2	54.9	0	0	0	0	116.4	F935	F935-S937 PolarHBondContact O-N 3.1Å
938	R	39	Very low	37.8	Very low	241 Å²	241	143.7 Å²	143.7	91%	0.909	76%	0.755	S	S	*	*			trans	65.1	148.7	149.3	-54.2	165.6	-176.4	-99.4	1	116.4
939	S	34.6	Very low	38	Very low	113 Å²	113	144.4 Å²	144.4	79%	0.79	76%	0.756	S	S	*	*			cis	-151.9	164.2	-3.6	-133.2	0	0	0	0	109.7
940	P	45.2	Very low	38.3	Very low	93 Å²	93	149 Å²	149	60%	0.604	76%	0.764	S	S	*	*			trans	-105.2	-179.2	-166.3	38.9	-33.3	0	0	0	117.1
941	H	38.9	Very low	38.4	Very low	177 Å²	177	148 Å²	148	82%	0.819	76%	0.759	S	S	*	*			trans	76.1	143.5	177.2	-43.3	-70	0	0	0	115.7
942	A	39	Very low	38.2	Very low	81 Å²	81	153.2 Å²	153.2	67%	0.669	77%	0.773	S	S	*	*			cis	-172.3	160.2	-18.5	0	0	0	0	0	108.8
943	D	39.5	Very low	38.5	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	75%	0.754	S	S	*	*			cis	-159.7	-104.9	-30.3	-85.7	-40.7	0	0	0	108.3
944	V	39.6	Very low	38.7	Very low	128 Å²	128	149.1 Å²	149.1	78%	0.776	76%	0.755	S	S	*	*			trans	65	101.8	171.2	-174.6	0	0	0	0	118.9
945	D	39.5	Very low	39	Very low	135 Å²	135	153 Å²	153	72%	0.722	76%	0.759	S	S	*	*			trans	64.5	111.3	139.4	-63.9	-8.4	0	0	0	125.7
946	I	39.1	Very low	39.6	Very low	157 Å²	157	152.2 Å²	152.2	81%	0.805	76%	0.762	S	S	*	*				84.6	125.6	125.6	-61.6	169.8	0	0	0	120.4
947	L	36.2	Very low	40.2	Very low	157 Å²	157	146 Å²	146	82%	0.822	74%	0.744	S	S	*	*			trans	-68.3	178.2	176.4	-69.8	172.6	0	0	0	113.4
948	P	41.4	Very low	40.3	Very low	102 Å²	102	150.1 Å²	150.1	66%	0.662	75%	0.748	S	S	*	*			cis	-148.1	171.8	20.3	43.4	-23.6	0	0	0	119.5
949	K	39.8	Very low	40.6	Very low	204 Å²	204	150.3 Å²	150.3	89%	0.887	75%	0.748	S	S	*	*			trans	-166.4	83.9	145	-104.8	144.9	-169.1	165.2	0	115.1	I951	K949-I951 PolarHBondContact O-N 3.37Å
950	I	39.6	Very low	41.3	Very low	155 Å²	155	155.6 Å²	155.6	80%	0.795	75%	0.751	S	S	*	*			trans	3.3	98.1	145.5	-51.1	169.1	0	0	0	113.8
951	I	41.5	Very low	41.1	Very low	139 Å²	139	156.8 Å²	156.8	71%	0.713	76%	0.756	S	S	*	*				64.5	111.7	77.5	-59.8	178	0	0	0	114.1	K949	K949-I951 PolarHBondContact O-N 3.37Å
952	R	36.1	Very low	41.1	Very low	237 Å²	237	155.9 Å²	155.9	89%	0.894	76%	0.757	S	S	*	*			trans	-77.6	146.4	162.1	-54.6	166.4	171.5	114.5	-6.4	108.9
953	L	39.2	Very low	41.2	Very low	105 Å²	105	161.9 Å²	161.9	55%	0.55	76%	0.764	S	S	.	*			trans	-171.8	146.2	150.2	-108.3	152.8	0	0	0	112.3	Y958	L953-Y958 HydrophobicContact CB-CD2 4.41Å; L953-Y958 HydrophobicContact CB-CE2 3.87Å; L953-Y958 HydrophobicContact CD1-CE2 3.69Å; L953-Y958 HydrophobicContact CD2-CE2 4.41Å; L953-Y958 HydrophobicContact CG-CE2 4.18Å
954	D	42.5	Very low	41.3	Very low	117 Å²	117	161.8 Å²	161.8	63%	0.626	76%	0.764	S	S	*	*			trans	-76.1	131.4	175.6	-96.3	-52.6	0	0	0	111.7	D956 Q957	D954-D956 PolarHBondContact O-N 2.78Å; D954-Q957 PolarHBondContact O-N 3.06Å
955	R	40.9	Very low	41.3	Very low	228 Å²	228	162.1 Å²	162.1	86%	0.86	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-19.8	-172.3	-167.6	167	179.1	136.2	-0	113.7
956	D	46.2	Very low	41.6	Very low	145 Å²	145	160.6 Å²	160.6	78%	0.775	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-12.6	-179.9	-67.3	-31.2	0	0	0	113.8	D954	D954-D956 PolarHBondContact O-N 2.78Å
957	Q	48.1	Very low	41.3	Very low	117 Å²	117	160.1 Å²	160.1	55%	0.547	76%	0.762	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-26.9	174.6	-69.1	-170	-18.2	0	0	113	D954 R959 R960	D954-Q957 PolarHBondContact O-N 3.06Å; Q957-R959 PolarHBondContact O-N 2.91Å; Q957-R960 PolarHBondContact O-N 2.72Å; Q957-R960 VanDerWaalsContact O-N 3.07Å
958	Y	41.1	Very low	41.4	Very low	171 Å²	171	158.7 Å²	158.7	67%	0.671	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	12.1	-177.5	-101.2	-66.9	0	0	0	116.5	L953	L953-Y958 HydrophobicContact CB-CD2 4.41Å; L953-Y958 HydrophobicContact CB-CE2 3.87Å; L953-Y958 HydrophobicContact CD1-CE2 3.69Å; L953-Y958 HydrophobicContact CD2-CE2 4.41Å; L953-Y958 HydrophobicContact CG-CE2 4.18Å
959	R	44.7	Very low	41.1	Very low	244 Å²	244	158.4 Å²	158.4	92%	0.921	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	10.5	171.5	-76.3	-169	172.1	-164.2	-2.8	114	Q957	Q957-R959 PolarHBondContact O-N 2.91Å
960	R	48.2	Very low	41	Very low	225 Å²	225	154.9 Å²	154.9	85%	0.849	76%	0.755	S	S	*	*	S	Bend	trans	-133.7	7.1	-176.5	-70	-176.5	176	-102.5	0.3	114.7	Q957	Q957-R960 PolarHBondContact O-N 2.72Å; Q957-R960 VanDerWaalsContact O-N 3.07Å
961	V	41.4	Very low	40.7	Very low	117 Å²	117	151.8 Å²	151.8	71%	0.709	75%	0.747	S	S	*	*			trans	-129.5	90.8	177.2	-171.8	0	0	0	0	108.4
962	N	40.1	Very low	40.6	Very low	158 Å²	158	151.8 Å²	151.8	85%	0.845	74%	0.744	S	S	*	*			trans	-167.4	50.6	164.9	-116	19.2	0	0	0	108.7
963	Y	41.2	Very low	40.6	Very low	207 Å²	207	148.6 Å²	148.6	81%	0.812	74%	0.736	S	S	*	*			trans	-145.9	134.4	171.2	-88.7	-81.5	0	0	0	107.1
964	D	41.8	Very low	40.6	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	75%	0.746	S	S	*	*			trans	63.5	141.9	172.9	-40.2	-36.1	0	0	0	114.3
965	V	39	Very low	40.4	Very low	136 Å²	136	148.8 Å²	148.8	82%	0.824	76%	0.756	S	S	*	*			cis	-139.5	159.1	35.5	161	0	0	0	0	110.2
966	P	44.8	Very low	40.4	Very low	102 Å²	102	141.8 Å²	141.8	66%	0.662	75%	0.746	S	S	*	*			trans	-115.2	-159.5	-149.1	44.8	-35.9	0	0	0	116.5
967	D	33.6	Very low	40	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	75%	0.745	S	S	*	*			trans	74.2	145.3	173	-59.2	-35.6	0	0	0	115.6
968	V	38.3	Very low	39.4	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	76%	0.758	S	S	*	*				-154.5	113.1	57.5	161.7	0	0	0	0	114.2
969	S	34.3	Very low	39.1	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	77%	0.769	S	S	*	*			trans	62	173.2	141.3	77	0	0	0	0	123.7
970	V	37.9	Very low	38.6	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	77%	0.766	S	S	*	*			trans	73.9	131	165.3	175.1	0	0	0	0	116
971	C	34.3	Very low	38.2	Very low	91 Å²	91	131.9 Å²	131.9	62%	0.615	76%	0.757	S	S	*	*			cis	-161.2	132.5	-14	-107.6	0	0	0	0	107.5
972	E	37.8	Very low	37.8	Very low	139 Å²	139	134.5 Å²	134.5	65%	0.65	77%	0.767	S	S	*	*				96.9	140.4	96.2	-85.3	-165.3	115	0	0	117.5
973	K	38.1	Very low	37.6	Very low	169 Å²	169	131.8 Å²	131.8	74%	0.735	76%	0.757	S	S	*	*			trans	61.5	149.8	165.1	-81.6	88.8	165.9	-167.2	0	117.1
974	S	39.1	Very low	37	Very low	108 Å²	108	127 Å²	127	76%	0.755	75%	0.749	S	S	*	*			cis	-152.6	169.5	-4	44.7	0	0	0	0	112.3
975	S	38.1	Very low	36.4	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	75%	0.752	S	S	*	*			trans	-32.1	160.7	167.2	-35.1	0	0	0	0	116.7
976	A	40.1	Very low	36	Very low	81 Å²	81	125.3 Å²	125.3	67%	0.669	74%	0.742	S	S	*	*			cis	-159.3	176.6	28.7	0	0	0	0	0	114.2
977	D	38.5	Very low	35.4	Very low	138 Å²	138	130 Å²	130	74%	0.738	75%	0.753	S	S	*	*			trans	41.7	113.9	153.3	-55.4	-22.2	0	0	0	120.1
978	L	34.6	Very low	35.9	Very low	156 Å²	156	126.1 Å²	126.1	82%	0.817	75%	0.748	S	S	*	*				53.1	94.7	84	-79	92	0	0	0	114.7
979	T	34.3	Very low	35.9	Very low	148 Å²	148	124.3 Å²	124.3	91%	0.908	75%	0.746	S	S	*	*				-165.1	163.8	105.1	15.7	0	0	0	0	112.8	V981	T979-V981 PolarHBondContact O-N 3.36Å
980	V	34.7	Very low	36.3	Very low	141 Å²	141	129.5 Å²	129.5	86%	0.855	76%	0.757	S	S	*	*			trans	-72.4	110.3	-174.5	177.2	0	0	0	0	112.1
981	V	40	Very low	36.4	Very low	111 Å²	111	134.8 Å²	134.8	67%	0.673	76%	0.763	S	S	*	*			trans	-152	122.6	132.5	-165.2	0	0	0	0	109.1	T979 T983	T979-V981 PolarHBondContact O-N 3.36Å; V981-T983 HydrophobicContact CB-CG2 4.43Å; V981-T983 HydrophobicContact CG1-CG2 3.82Å; V981-T983 PolarHBondContact O-N 3.36Å
982	D	33.3	Very low	36.3	Very low	172 Å²	172	134.4 Å²	134.4	92%	0.92	77%	0.766	S	S	*	*			trans	-81.5	66.5	167.2	-101.9	-32.9	0	0	0	110.2	T984	D982-T984 PolarHBondContact O-N 3.36Å
983	T	36	Very low	35.9	Very low	101 Å²	101	139 Å²	139	62%	0.62	78%	0.777	S	S	*	*			trans	-67	108.7	166.4	33.8	0	0	0	0	109.3	V981	V981-T983 HydrophobicContact CB-CG2 4.43Å; V981-T983 HydrophobicContact CG1-CG2 3.82Å; V981-T983 PolarHBondContact O-N 3.36Å
984	T	28.9	Very low	35.3	Very low	106 Å²	106	134 Å²	134	65%	0.65	76%	0.764	S	S	*	*				61	119.1	91.5	62.9	0	0	0	0	116	D982	D982-T984 PolarHBondContact O-N 3.36Å
985	D	29.1	Very low	34.8	Very low	160 Å²	160	139 Å²	139	86%	0.856	77%	0.766	S	S	*	*			trans	70.2	-179.9	153.2	-75.1	-57.7	0	0	0	119.9
986	S	30.4	Very low	34.4	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	77%	0.765	S	S	*	*			trans	85.6	80.6	162.2	-64.1	0	0	0	0	120.5
987	F	32.4	Very low	34.4	Very low	200 Å²	200	145 Å²	145	88%	0.877	76%	0.76	S	S	*	*			trans	65.8	153.6	143.6	-52.1	-80.2	0	0	0	119.4
988	G	44.1	Very low	34.3	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	76%	0.756	S	S	*	*			cis	-116.9	138.1	-9.6	0	0	0	0	0	110.9
989	A	37.5	Very low	34.4	Very low	90 Å²	90	141.5 Å²	141.5	74%	0.744	74%	0.74	S	S	*	*				66.1	121.2	76.2	0	0	0	0	0	112.6
990	K	43.5	Very low	34.3	Very low	205 Å²	205	135.9 Å²	135.9	89%	0.891	71%	0.711	S	S	*	*			cis	-135.5	142.5	30.3	-67.7	173.8	-179.8	174.7	0	114.6
991	R	39.5	Very low	34.9	Very low	241 Å²	241	131.4 Å²	131.4	91%	0.909	69%	0.685	S	S	*	*			trans	80.4	110.6	154.9	-173.1	169.4	-78.2	-136.3	-1.7	120.1
992	A	33.2	Very low	34.6	Very low	82 Å²	82	127.7 Å²	127.7	68%	0.678	67%	0.669	S	S	*	*			trans	72.5	120.3	149.9	0	0	0	0	0	117.7
993	R	29.1	Very low	34.7	Very low	237 Å²	237	125.1 Å²	125.1	89%	0.894	66%	0.659	S	S	*	*				75.7	134.3	50.6	-68.5	177.2	164.7	-171.9	-4.6	113.6
994	S	25.6	Very low	34.8	Very low	64 Å²	64	124.5 Å²	124.5	45%	0.448	66%	0.656	S	S	.	*			trans	75.7	129.6	168.1	-66.9	0	0	0	0	117.1	G1000 P1001	S994-G1000 WeakPolarHBondContact CB-O 3.23Å; S994-G1000 PolarHBondContact OG-O 2.72Å; S994-P1001 VanDerWaalsContact OG-CD 3.27Å; S994-P1001 WeakPolarHBondContact OG-CD 3.05Å
995	R	28	Very low	35.3	Very low	212 Å²	212	127.3 Å²	127.3	80%	0.8	67%	0.665	S	S	*	*				76.9	154.1	50.4	-68.1	166.2	146.6	-172.1	-5.6	113.1	P1001	R995-P1001 HydrophobicContact CB-CG 4.02Å
996	H	30.2	Very low	35.9	Very low	173 Å²	173	126 Å²	126	80%	0.801	66%	0.658	S	S	*	*	S	Bend	trans	-30.9	155.7	163.9	-121.8	-94.1	0	0	0	114.8	P1001	H996-P1001 WeakPolarHBondContact O-CD 3.4Å; H996-P1001 WeakPolarHBondContact O-CG 3.42Å
997	R	40	Very low	36.6	Very low	153 Å²	153	133.8 Å²	133.8	58%	0.577	67%	0.674	S	S	*	*			trans	69.5	-171.8	-164.8	-38.7	-166	-150.3	155.6	2	108.9	R999 P1001	R997-R999 HydrophobicContact CB-CB 4Å; R997-R999 HydrophobicContact CB-CG 4.2Å; R997-R999 VanDerWaalsContact CB-O 3.22Å; R997-R999 WeakPolarHBondContact CB-O 3.24Å; R997-R999 WeakPolarHBondContact CD-O 3.22Å; R997-P1001 HydrophobicContact CG-CG 4.36Å
998	S	36.6	Very low	36.8	Very low	92 Å²	92	128.1 Å²	128.1	64%	0.643	66%	0.659	S	S	*	*	S	Bend		-168.7	111.7	86.1	-177	0	0	0	0	111.4	G1000	S998-G1000 PolarHBondContact OG-N 3.24Å; S998-G1000 VanDerWaalsContact OG-N 3.09Å; S998-G1000 PolarHBondContact OG-O 3.06Å
999	R	37	Very low	37	Very low	127 Å²	127	131 Å²	131	48%	0.479	66%	0.655	S	S	.	*	S	Bend	cis	45.8	43.4	-4.2	178.7	140.4	-149	-148.1	-2.2	115.2	R997 P1001 G1002 V1003 T1004	R997-R999 HydrophobicContact CB-CB 4Å; R997-R999 HydrophobicContact CB-CG 4.2Å; R997-R999 VanDerWaalsContact CB-O 3.22Å; R997-R999 WeakPolarHBondContact CB-O 3.24Å; R997-R999 WeakPolarHBondContact CD-O 3.22Å; R999-P1001 CarbonylContact O-C 3.26Å; R999-P1001 VanDerWaalsContact O-C 3.25Å; R999-P1001 WeakPolarHBondContact O-CA 3.18Å; R999-G1002 PolarHBondContact NE-O 2.98Å; R999-G1002 PolarHBondContact NH2-O 3.19Å; R999-G1002 PolarHBondContact O-N 3.3Å; R999-V1003 VanDerWaalsContact CA-O 3.24Å; R999-V1003 WeakPolarHBondContact CA-O 3.42Å; R999-V1003 WeakPolarHBondContact CB-O 3.38Å; R999-V1003 WeakPolarHBondContact CD-O 3.36Å; R999-V1003 WeakPolarHBondContact CG-O 3.18Å; R999-V1003 PolarHBondContact NE-O 2.96Å; R999-T1004 PolarHBondContact NE-OG1 2.87Å; R999-T1004 PolarHBondContact NH1-OG1 3.42Å; R999-T1004 PolarHBondContact NH2-OG1 3.28Å; R999-T1004 VanDerWaalsContact NH2-OG1 3.14Å
1000	G	31.8	Very low	37.7	Very low	30 Å²	30	131.8 Å²	131.8	31%	0.309	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.9	-96.1	170.2	0	0	0	0	0	117	S994 S998 G1002	S994-G1000 WeakPolarHBondContact CB-O 3.23Å; S994-G1000 PolarHBondContact OG-O 2.72Å; S998-G1000 PolarHBondContact OG-N 3.24Å; S998-G1000 VanDerWaalsContact OG-N 3.09Å; S998-G1000 PolarHBondContact OG-O 3.06Å; G1000-G1002 VanDerWaalsContact CA-N 3.29Å
1001	P	46.7	Very low	37.9	Very low	47 Å²	47	130.3 Å²	130.3	31%	0.305	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	cis	-41.4	107.9	4.1	-33.5	38	0	0	0	115.3	S994 R995 H996 R997 R999	S994-P1001 VanDerWaalsContact OG-CD 3.27Å; S994-P1001 WeakPolarHBondContact OG-CD 3.05Å; R995-P1001 HydrophobicContact CB-CG 4.02Å; H996-P1001 WeakPolarHBondContact O-CD 3.4Å; H996-P1001 WeakPolarHBondContact O-CG 3.42Å; R997-P1001 HydrophobicContact CG-CG 4.36Å; R999-P1001 CarbonylContact O-C 3.26Å; R999-P1001 VanDerWaalsContact O-C 3.25Å; R999-P1001 WeakPolarHBondContact O-CA 3.18Å
1002	G	34.6	Very low	38.3	Very low	33 Å²	33	126.6 Å²	126.6	34%	0.34	64%	0.639	S	S	.	*	S	Bend	trans	175.9	-123.5	-166.9	0	0	0	0	0	114.3	R999 G1000	R999-G1002 PolarHBondContact NE-O 2.98Å; R999-G1002 PolarHBondContact NH2-O 3.19Å; R999-G1002 PolarHBondContact O-N 3.3Å; G1000-G1002 VanDerWaalsContact CA-N 3.29Å
1003	V	34.9	Very low	38.8	Very low	118 Å²	118	127 Å²	127	72%	0.715	64%	0.637	S	S	*	*			trans	-63.7	147.8	-169.1	-174.6	0	0	0	0	115.2	R999	R999-V1003 VanDerWaalsContact CA-O 3.24Å; R999-V1003 WeakPolarHBondContact CA-O 3.42Å; R999-V1003 WeakPolarHBondContact CB-O 3.38Å; R999-V1003 WeakPolarHBondContact CD-O 3.36Å; R999-V1003 WeakPolarHBondContact CG-O 3.18Å; R999-V1003 PolarHBondContact NE-O 2.96Å
1004	T	37.1	Very low	39.9	Very low	88 Å²	88	122.3 Å²	122.3	54%	0.54	63%	0.629	S	S	.	*			trans	-107.3	150	176.4	-14.1	0	0	0	0	110.5	R999	R999-T1004 PolarHBondContact NE-OG1 2.87Å; R999-T1004 PolarHBondContact NH1-OG1 3.42Å; R999-T1004 PolarHBondContact NH2-OG1 3.28Å; R999-T1004 VanDerWaalsContact NH2-OG1 3.14Å
1005	I	40.9	Very low	41.3	Very low	166 Å²	166	125.8 Å²	125.8	85%	0.851	65%	0.648	S	S	*	*			trans	-134.7	153.6	168.2	-56.2	-178.2	0	0	0	108.2
1006	D	40.1	Very low	42.7	Very low	133 Å²	133	117.4 Å²	117.4	71%	0.711	63%	0.628	S	S	*	*			trans	-87.5	170.7	-135.8	-132.7	-40.1	0	0	0	118
1007	R	45.9	Very low	44.3	Very low	252 Å²	252	112.6 Å²	112.6	95%	0.951	61%	0.614	S	S	*	*			trans	-96.8	23.9	178.4	-80.6	-177.4	160.6	138	-5.7	113.5
1008	S	36.8	Very low	45.6	Very low	81 Å²	81	112 Å²	112	57%	0.566	62%	0.616	S	S	*	*			trans	-135	127.7	-179.9	39.6	0	0	0	0	108.4
1009	E	47.4	Very low	47.4	Very low	128 Å²	128	109.8 Å²	109.8	60%	0.598	60%	0.603	S	S	*	*			cis	-145.5	149.9	-0.1	-57	-174.1	91.5	0	0	111.6	E1012	E1009-E1012 WeakPolarHBondContact OE2-CG 3.38Å
1010	P	52.7	Low	49.2	Very low	106 Å²	106	106.4 Å²	106.4	69%	0.688	60%	0.602	S	S	*	*	S	Bend	trans	-99.5	19	173.3	38.1	-33.5	0	0	0	113.8
1011	F	48.6	Very low	51.4	Low	174 Å²	174	107.5 Å²	107.5	76%	0.763	60%	0.599	S	S	*	*			trans	-128.6	-13.2	-163.8	-66.7	-55.1	0	0	0	118.3	S1013	F1011-S1013 PolarHBondContact O-N 2.72Å
1012	E	47.9	Very low	53.2	Low	163 Å²	163	111 Å²	111	76%	0.762	61%	0.611	S	S	*	*			trans	-68.8	9.9	-174.4	-63	-159.3	105.6	0	0	116.5	E1009 D1014	E1009-E1012 WeakPolarHBondContact OE2-CG 3.38Å; E1012-D1014 PolarHBondContact O-N 3.28Å
1013	S	43.1	Very low	55.5	Low	90 Å²	90	118.3 Å²	118.3	63%	0.629	63%	0.629	S	S	*	*			trans	-76.9	93	172.6	-67.9	0	0	0	0	110.8	F1011 T1015 G1016	F1011-S1013 PolarHBondContact O-N 2.72Å; S1013-T1015 PolarHBondContact O-N 3.1Å; S1013-G1016 WeakPolarHBondContact O-CA 3.42Å; S1013-G1016 PolarHBondContact O-N 3.12Å
1014	D	52.8	Low	58.1	Low	138 Å²	138	116.4 Å²	116.4	74%	0.738	61%	0.614	S	S	*	*	H	α-helix	trans	-46.2	-36.3	-176	-111.9	-32.2	0	0	0	115.3	E1012 G1016 S1017	E1012-D1014 PolarHBondContact O-N 3.28Å; D1014-G1016 PolarHBondContact O-N 2.8Å; D1014-S1017 VanDerWaalsContact O-CB 3.25Å; D1014-S1017 WeakPolarHBondContact O-CB 3.27Å; D1014-S1017 PolarHBondContact O-N 3.19Å
1015	T	55.2	Low	60.5	Low	137 Å²	137	118.9 Å²	118.9	84%	0.84	61%	0.614	S	S	*	*	H	α-helix	trans	-65.2	-18.6	176.6	59.4	0	0	0	0	114	S1013	S1013-T1015 PolarHBondContact O-N 3.1Å
1016	G	56.7	Low	62.6	Low	36 Å²	36	117.3 Å²	117.3	37%	0.371	60%	0.6	S	S	.	*	H	α-helix	trans	-81.5	-28.2	169.7	0	0	0	0	0	113.6	S1013 D1014 F1018 A1019 A1020	S1013-G1016 WeakPolarHBondContact O-CA 3.42Å; S1013-G1016 PolarHBondContact O-N 3.12Å; D1014-G1016 PolarHBondContact O-N 2.8Å; G1016-F1018 PolarHBondContact O-N 3.12Å; G1016-A1019 CarbonylContact O-C 2.79Å; G1016-A1019 PolarHBondContact O-N 2.82Å; G1016-A1019 VanDerWaalsContact O-N 3.15Å; G1016-A1020 WeakPolarHBondContact O-CB 3.35Å; G1016-A1020 PolarHBondContact O-N 2.99Å
1017	S	63.1	Low	65	Low	73 Å²	73	115.3 Å²	115.3	51%	0.51	59%	0.589	S	S	.	*	H	α-helix	trans	-57.2	-54.6	-173.6	-179.1	0	0	0	0	112.4	D1014 A1019 A1020 E1021	D1014-S1017 VanDerWaalsContact O-CB 3.25Å; D1014-S1017 WeakPolarHBondContact O-CB 3.27Å; D1014-S1017 PolarHBondContact O-N 3.19Å; S1017-A1019 VanDerWaalsContact C-N 3.28Å; S1017-A1019 PolarHBondContact O-N 2.58Å; S1017-A1020 WeakPolarHBondContact O-CB 3.24Å; S1017-A1020 PolarHBondContact O-N 2.88Å; S1017-A1020 VanDerWaalsContact O-N 3.13Å; S1017-E1021 WeakPolarHBondContact O-CB 3.39Å; S1017-E1021 PolarHBondContact O-N 2.83Å
1018	F	67.6	Low	67.2	Low	141 Å²	141	110.2 Å²	110.2	62%	0.618	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-33.3	178.1	-175.8	-97	0	0	0	113.3	G1016 Q1022	G1016-F1018 PolarHBondContact O-N 3.12Å; F1018-Q1022 HydrophobicContact CD1-CG 4.33Å; F1018-Q1022 HydrophobicContact CE1-CG 3.87Å; F1018-Q1022 HydrophobicContact CZ-CG 3.99Å; F1018-Q1022 VanDerWaalsContact CZ-NE2 3.33Å; F1018-Q1022 PolarHBondContact O-N 2.83Å
1019	A	73.8	Confident	69.6	Low	45 Å²	45	111.6 Å²	111.6	37%	0.372	57%	0.568	S	S	.	*	H	α-helix	trans	-74.7	-31.3	177.4	0	0	0	0	0	112.4	G1016 S1017 R1023	G1016-A1019 CarbonylContact O-C 2.79Å; G1016-A1019 PolarHBondContact O-N 2.82Å; G1016-A1019 VanDerWaalsContact O-N 3.15Å; S1017-A1019 VanDerWaalsContact C-N 3.28Å; S1017-A1019 PolarHBondContact O-N 2.58Å; A1019-R1023 WeakPolarHBondContact O-CD 3.22Å; A1019-R1023 WeakPolarHBondContact O-CG 3.35Å; A1019-R1023 PolarHBondContact O-N 3.34Å
1020	A	75.4	Confident	71.5	Confident	56 Å²	56	111.8 Å²	111.8	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-69.8	-46	169.7	0	0	0	0	0	110.7	G1016 S1017 R1023 L1024	G1016-A1020 WeakPolarHBondContact O-CB 3.35Å; G1016-A1020 PolarHBondContact O-N 2.99Å; S1017-A1020 WeakPolarHBondContact O-CB 3.24Å; S1017-A1020 PolarHBondContact O-N 2.88Å; S1017-A1020 VanDerWaalsContact O-N 3.13Å; A1020-R1023 CarbonylContact O-C 3.59Å; A1020-R1023 WeakPolarHBondContact O-CA 3.3Å; A1020-R1023 WeakPolarHBondContact O-CB 3.33Å; A1020-R1023 PolarHBondContact O-N 3.47Å; A1020-R1023 VanDerWaalsContact O-N 3.09Å; A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 PolarHBondContact O-N 2.72Å
1021	E	78.1	Confident	73.2	Confident	53 Å²	53	111.7 Å²	111.7	25%	0.248	56%	0.556	C	S	.	*	H	α-helix	trans	-64.6	-40.9	179.3	173.3	60.5	176.3	0	0	112.6	S1017 R1023 L1024 R1025	S1017-E1021 WeakPolarHBondContact O-CB 3.39Å; S1017-E1021 PolarHBondContact O-N 2.83Å; E1021-R1023 VanDerWaalsContact C-N 3.3Å; E1021-R1023 PolarHBondContact O-N 3.36Å; E1021-L1024 PolarHBondContact O-N 3.07Å; E1021-L1024 VanDerWaalsContact O-N 3.12Å; E1021-R1025 WeakPolarHBondContact O-CG 3.28Å; E1021-R1025 PolarHBondContact O-N 2.77Å; E1021-R1025 IonicContact OE1-CZ 2.69Å; E1021-R1025 IonicContact OE1-NE 3.69Å; E1021-R1025 PolarHBondContact OE1-NE 3.41Å; E1021-R1025 IonicContact OE1-NH2 2.64Å; E1021-R1025 PolarHBondContact OE1-NH2 3.26Å
1022	Q	85	Confident	74.9	Confident	119 Å²	119	108 Å²	108	56%	0.556	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-34.4	171.4	-77.5	-154.6	-19.1	0	0	112.9	F1018 K1026	F1018-Q1022 HydrophobicContact CD1-CG 4.33Å; F1018-Q1022 HydrophobicContact CE1-CG 3.87Å; F1018-Q1022 HydrophobicContact CZ-CG 3.99Å; F1018-Q1022 VanDerWaalsContact CZ-NE2 3.33Å; F1018-Q1022 PolarHBondContact O-N 2.83Å; Q1022-K1026 WeakPolarHBondContact O-CB 3.2Å; Q1022-K1026 PolarHBondContact O-N 3.49Å; Q1022-K1026 VanDerWaalsContact O-N 3.12Å
1023	R	82.7	Confident	76.6	Confident	188 Å²	188	105.2 Å²	105.2	71%	0.709	53%	0.534	S	S	*	.	H	α-helix	trans	-68.8	-35.8	171.6	-71.3	168.7	-174.8	-167.2	4.6	111.4	A1019 A1020 E1021 L1027	A1019-R1023 WeakPolarHBondContact O-CD 3.22Å; A1019-R1023 WeakPolarHBondContact O-CG 3.35Å; A1019-R1023 PolarHBondContact O-N 3.34Å; A1020-R1023 CarbonylContact O-C 3.59Å; A1020-R1023 WeakPolarHBondContact O-CA 3.3Å; A1020-R1023 WeakPolarHBondContact O-CB 3.33Å; A1020-R1023 PolarHBondContact O-N 3.47Å; A1020-R1023 VanDerWaalsContact O-N 3.09Å; E1021-R1023 VanDerWaalsContact C-N 3.3Å; E1021-R1023 PolarHBondContact O-N 3.36Å; R1023-L1027 WeakPolarHBondContact O-CB 3.3Å; R1023-L1027 PolarHBondContact O-N 2.81Å
1024	L	88.8	Confident	78.6	Confident	78 Å²	78	103.9 Å²	103.9	41%	0.408	52%	0.522	S	S	.	.	H	α-helix	trans	-71.2	-43.7	-179.4	-160.6	71.6	0	0	0	111.5	A1020 E1021 L1027 R1028	A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 PolarHBondContact O-N 2.72Å; E1021-L1024 PolarHBondContact O-N 3.07Å; E1021-L1024 VanDerWaalsContact O-N 3.12Å; L1024-L1027 CarbonylContact O-C 3.05Å; L1024-L1027 WeakPolarHBondContact O-CB 3.18Å; L1024-L1027 PolarHBondContact O-N 3.47Å; L1024-L1027 VanDerWaalsContact O-N 3.14Å; L1024-R1028 WeakPolarHBondContact O-CG 3.43Å; L1024-R1028 PolarHBondContact O-N 3.39Å
1025	R	87.2	Confident	80.2	Confident	140 Å²	140	100 Å²	100	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-58.5	-49.2	170.2	-69.5	-179.1	-167.2	-169	4.2	111.2	E1021 L1027 R1028 E1029	E1021-R1025 WeakPolarHBondContact O-CG 3.28Å; E1021-R1025 PolarHBondContact O-N 2.77Å; E1021-R1025 IonicContact OE1-CZ 2.69Å; E1021-R1025 IonicContact OE1-NE 3.69Å; E1021-R1025 PolarHBondContact OE1-NE 3.41Å; E1021-R1025 IonicContact OE1-NH2 2.64Å; E1021-R1025 PolarHBondContact OE1-NH2 3.26Å; R1025-L1027 PolarHBondContact O-N 2.95Å; R1025-R1028 WeakPolarHBondContact O-CB 3.46Å; R1025-R1028 PolarHBondContact O-N 2.81Å; R1025-E1029 WeakPolarHBondContact O-CG 3.25Å; R1025-E1029 PolarHBondContact O-N 3.12Å
1026	K	86.1	Confident	81.4	Confident	132 Å²	132	95.1 Å²	95.1	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-64.2	-26.2	175.3	-171.5	158.6	-173.6	159.1	0	113.5	Q1022 R1030	Q1022-K1026 WeakPolarHBondContact O-CB 3.2Å; Q1022-K1026 PolarHBondContact O-N 3.49Å; Q1022-K1026 VanDerWaalsContact O-N 3.12Å; K1026-R1030 VanDerWaalsContact O-CB 3.29Å; K1026-R1030 WeakPolarHBondContact O-CB 3.35Å; K1026-R1030 VanDerWaalsContact O-CG 3.23Å; K1026-R1030 WeakPolarHBondContact O-CG 3.39Å; K1026-R1030 PolarHBondContact O-N 2.92Å
1027	L	90.4	Very high	82.2	Confident	91 Å²	91	94.6 Å²	94.6	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-73.8	-39.8	170.5	-102.8	163	0	0	0	112	R1023 L1024 R1025 R1030 L1031	R1023-L1027 WeakPolarHBondContact O-CB 3.3Å; R1023-L1027 PolarHBondContact O-N 2.81Å; L1024-L1027 CarbonylContact O-C 3.05Å; L1024-L1027 WeakPolarHBondContact O-CB 3.18Å; L1024-L1027 PolarHBondContact O-N 3.47Å; L1024-L1027 VanDerWaalsContact O-N 3.14Å; R1025-L1027 PolarHBondContact O-N 2.95Å; L1027-R1030 CarbonylContact O-C 3.57Å; L1027-R1030 PolarHBondContact O-N 2.89Å; L1027-L1031 VanDerWaalsContact O-CB 3.29Å; L1027-L1031 WeakPolarHBondContact O-CB 3.13Å; L1027-L1031 VanDerWaalsContact O-CG 3.25Å; L1027-L1031 WeakPolarHBondContact O-CG 3.39Å; L1027-L1031 PolarHBondContact O-N 2.91Å
1028	R	91	Very high	82.9	Confident	145 Å²	145	92.1 Å²	92.1	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-46.8	173.2	-68.7	171.7	-176.3	171.2	3.4	111.1	L1024 R1025 R1030 L1031 N1032	L1024-R1028 WeakPolarHBondContact O-CG 3.43Å; L1024-R1028 PolarHBondContact O-N 3.39Å; R1025-R1028 WeakPolarHBondContact O-CB 3.46Å; R1025-R1028 PolarHBondContact O-N 2.81Å; R1028-R1030 VanDerWaalsContact C-N 3.32Å; R1028-R1030 PolarHBondContact O-N 3.48Å; R1028-L1031 PolarHBondContact O-N 3.27Å; R1028-N1032 WeakPolarHBondContact O-CB 3.27Å; R1028-N1032 PolarHBondContact O-N 3.1Å; R1028-N1032 PolarHBondContact O-OD1 2.93Å
1029	E	87.4	Confident	83.4	Confident	111 Å²	111	86.1 Å²	86.1	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-55.3	-44	171.2	-70	160.4	-158.8	0	0	111.9	R1025 L1033	R1025-E1029 WeakPolarHBondContact O-CG 3.25Å; R1025-E1029 PolarHBondContact O-N 3.12Å; E1029-L1033 WeakPolarHBondContact O-CB 3.16Å; E1029-L1033 WeakPolarHBondContact O-CG 3.12Å; E1029-L1033 PolarHBondContact O-N 3.06Å
1030	R	88.4	Confident	83.3	Confident	131 Å²	131	88.2 Å²	88.2	49%	0.494	42%	0.421	S	S	.	.	H	α-helix	trans	-74.7	-32.3	177.6	-76.6	-175.5	81.7	-166.5	11.6	114	K1026 L1027 R1028 L1033 V1034	K1026-R1030 VanDerWaalsContact O-CB 3.29Å; K1026-R1030 WeakPolarHBondContact O-CB 3.35Å; K1026-R1030 VanDerWaalsContact O-CG 3.23Å; K1026-R1030 WeakPolarHBondContact O-CG 3.39Å; K1026-R1030 PolarHBondContact O-N 2.92Å; L1027-R1030 CarbonylContact O-C 3.57Å; L1027-R1030 PolarHBondContact O-N 2.89Å; R1028-R1030 VanDerWaalsContact C-N 3.32Å; R1028-R1030 PolarHBondContact O-N 3.48Å; R1030-L1033 PolarHBondContact O-N 3.31Å; R1030-V1034 VanDerWaalsContact O-CB 3.26Å; R1030-V1034 WeakPolarHBondContact O-CB 3.4Å; R1030-V1034 WeakPolarHBondContact O-CG2 3.07Å; R1030-V1034 PolarHBondContact O-N 2.94Å
1031	L	88.8	Confident	83.1	Confident	105 Å²	105	90.6 Å²	90.6	55%	0.55	43%	0.425	S	S	.	.	H	α-helix	trans	-71.2	-39.4	175.7	-78.1	168.7	0	0	0	110.3	L1027 R1028 D1035	L1027-L1031 VanDerWaalsContact O-CB 3.29Å; L1027-L1031 WeakPolarHBondContact O-CB 3.13Å; L1027-L1031 VanDerWaalsContact O-CG 3.25Å; L1027-L1031 WeakPolarHBondContact O-CG 3.39Å; L1027-L1031 PolarHBondContact O-N 2.91Å; R1028-L1031 PolarHBondContact O-N 3.27Å; L1031-D1035 PolarHBondContact O-N 3.49Å
1032	N	83.8	Confident	82.9	Confident	96 Å²	96	95.8 Å²	95.8	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-54.9	-63.1	163.7	-70.2	6.2	0	0	0	109.2	R500 R1028 V1034 D1035 D1036	R500-N1032 VanDerWaalsContact CD-O 3.3Å; R500-N1032 WeakPolarHBondContact CD-O 3.19Å; R500-N1032 PolarHBondContact NH1-O 2.81Å; R1028-N1032 WeakPolarHBondContact O-CB 3.27Å; R1028-N1032 PolarHBondContact O-N 3.1Å; R1028-N1032 PolarHBondContact O-OD1 2.93Å; N1032-V1034 VanDerWaalsContact C-N 3.35Å; N1032-V1034 PolarHBondContact O-N 2.88Å; N1032-D1035 CarbonylContact O-C 3.55Å; N1032-D1035 VanDerWaalsContact O-CA 3.31Å; N1032-D1035 WeakPolarHBondContact O-CA 3.3Å; N1032-D1035 WeakPolarHBondContact O-CB 3.18Å; N1032-D1035 PolarHBondContact O-N 3.35Å; N1032-D1036 PolarHBondContact O-N 3.2Å; N1032-D1036 VanDerWaalsContact O-N 3.13Å
1033	L	83.8	Confident	82.1	Confident	105 Å²	105	93.7 Å²	93.7	55%	0.55	45%	0.45	S	S	.	.	H	α-helix	trans	-57.3	-39.2	-174.2	-81.4	167.3	0	0	0	114.6	R500 E1029 R1030 D1035 D1036	R500-L1033 VanDerWaalsContact NH1-CA 3.33Å; E1029-L1033 WeakPolarHBondContact O-CB 3.16Å; E1029-L1033 WeakPolarHBondContact O-CG 3.12Å; E1029-L1033 PolarHBondContact O-N 3.06Å; R1030-L1033 PolarHBondContact O-N 3.31Å; L1033-D1035 PolarHBondContact O-N 2.7Å; L1033-D1036 PolarHBondContact O-N 3.42Å; L1033-D1036 VanDerWaalsContact O-N 3.14Å
1034	V	84.6	Confident	81.3	Confident	62 Å²	62	87.2 Å²	87.2	38%	0.376	44%	0.442	S	S	.	.	H	α-helix	trans	-54.6	-37.9	173	159.9	0	0	0	0	109.7	R1030 N1032 I1038	R1030-V1034 VanDerWaalsContact O-CB 3.26Å; R1030-V1034 WeakPolarHBondContact O-CB 3.4Å; R1030-V1034 WeakPolarHBondContact O-CG2 3.07Å; R1030-V1034 PolarHBondContact O-N 2.94Å; N1032-V1034 VanDerWaalsContact C-N 3.35Å; N1032-V1034 PolarHBondContact O-N 2.88Å; V1034-I1038 HydrophobicContact CG1-CD1 3.93Å; V1034-I1038 VanDerWaalsContact O-CB 3.25Å; V1034-I1038 WeakPolarHBondContact O-CB 3.37Å; V1034-I1038 WeakPolarHBondContact O-CD1 3.02Å; V1034-I1038 WeakPolarHBondContact O-CG1 3.23Å
1035	D	85.8	Confident	80.1	Confident	56 Å²	56	88.4 Å²	88.4	30%	0.299	45%	0.452	S	S	.	.	H	α-helix	trans	-83.9	-18.7	-178.4	-79.5	8.2	0	0	0	113.7	S499 R500 L1031 N1032 L1033 I1038 A1039	S499-D1035 WeakPolarHBondContact OG-CA 3.46Å; S499-D1035 WeakPolarHBondContact OG-CB 3.43Å; S499-D1035 PolarHBondContact OG-O 2.98Å; S499-D1035 PolarHBondContact OG-OD1 2.97Å; S499-D1035 PolarHBondContact OG-OD2 2.95Å; R500-D1035 HydrophobicContact CB-CB 4.06Å; L1031-D1035 PolarHBondContact O-N 3.49Å; N1032-D1035 CarbonylContact O-C 3.55Å; N1032-D1035 VanDerWaalsContact O-CA 3.31Å; N1032-D1035 WeakPolarHBondContact O-CA 3.3Å; N1032-D1035 WeakPolarHBondContact O-CB 3.18Å; N1032-D1035 PolarHBondContact O-N 3.35Å; L1033-D1035 PolarHBondContact O-N 2.7Å; D1035-I1038 WeakPolarHBondContact O-CB 3.16Å; D1035-I1038 PolarHBondContact O-N 3.09Å; D1035-A1039 PolarHBondContact O-N 3Å
1036	D	79.9	Confident	78.4	Confident	35 Å²	35	84.2 Å²	84.2	19%	0.187	45%	0.452	C	S	.	.	H	α-helix	trans	-56.5	-60.9	170.9	-97.9	-23	0	0	0	110.8	R500 N1032 L1033 I1038 E1040	R500-D1036 IonicContact CZ-OD1 3.12Å; R500-D1036 IonicContact CZ-OD2 3.95Å; R500-D1036 IonicContact NE-OD1 3.31Å; R500-D1036 PolarHBondContact NE-OD1 2.76Å; R500-D1036 IonicContact NH1-OD1 2.79Å; R500-D1036 PolarHBondContact NH1-OD1 3.13Å; R500-D1036 IonicContact NH1-OD2 3.36Å; R500-D1036 PolarHBondContact NH1-OD2 3.24Å; R500-D1036 IonicContact NH2-OD1 2.72Å; R500-D1036 PolarHBondContact NH2-OD1 2.99Å; R500-D1036 IonicContact NH2-OD2 3.28Å; R500-D1036 PolarHBondContact NH2-OD2 2.97Å; N1032-D1036 PolarHBondContact O-N 3.2Å; N1032-D1036 VanDerWaalsContact O-N 3.13Å; L1033-D1036 PolarHBondContact O-N 3.42Å; L1033-D1036 VanDerWaalsContact O-N 3.14Å; D1036-I1038 PolarHBondContact O-N 3.37Å; D1036-E1040 VanDerWaalsContact O-CG 3.31Å; D1036-E1040 WeakPolarHBondContact O-CG 3.36Å; D1036-E1040 PolarHBondContact O-N 3.15Å
1037	A	75.1	Confident	76.9	Confident	24 Å²	24	82.8 Å²	82.8	20%	0.198	45%	0.454	C	S	.	.	H	α-helix	trans	-65.6	16.5	-179.2	0	0	0	0	0	113.2	K498 E1040	K498-A1037 PolarHBondContact NZ-O 2.83Å; A1037-E1040 WeakPolarHBondContact CA-OE2 3.44Å
1038	I	76.5	Confident	75.1	Confident	22 Å²	22	87.6 Å²	87.6	11%	0.113	48%	0.475	C	S	.	.	H	α-helix	trans	-123.6	-65.4	-166.3	-79.8	-166.6	0	0	0	107.8	K497 K498 S499 V1034 D1035 D1036 E1040 I1041 K1042	K497-I1038 HydrophobicContact CD-CD1 4.3Å; K498-I1038 VanDerWaalsContact CA-CG2 3.41Å; K498-I1038 HydrophobicContact CB-CG2 3.88Å; K498-I1038 WeakPolarHBondContact CB-O 3.19Å; K498-I1038 VanDerWaalsContact CG-C 3.47Å; K498-I1038 HydrophobicContact CG-CB 3.74Å; K498-I1038 HydrophobicContact CG-CG1 4.03Å; K498-I1038 HydrophobicContact CG-CG2 3.37Å; K498-I1038 WeakPolarHBondContact CG-O 3.37Å; S499-I1038 WeakPolarHBondContact OG-CG2 3.47Å; V1034-I1038 HydrophobicContact CG1-CD1 3.93Å; V1034-I1038 VanDerWaalsContact O-CB 3.25Å; V1034-I1038 WeakPolarHBondContact O-CB 3.37Å; V1034-I1038 WeakPolarHBondContact O-CD1 3.02Å; V1034-I1038 WeakPolarHBondContact O-CG1 3.23Å; D1035-I1038 WeakPolarHBondContact O-CB 3.16Å; D1035-I1038 PolarHBondContact O-N 3.09Å; D1036-I1038 PolarHBondContact O-N 3.37Å; I1038-E1040 PolarHBondContact O-N 3.49Å; I1038-I1041 CarbonylContact O-C 3.54Å; I1038-I1041 WeakPolarHBondContact O-CA 3.29Å; I1038-I1041 WeakPolarHBondContact O-CB 3.2Å; I1038-I1041 PolarHBondContact O-N 3.19Å; I1038-K1042 PolarHBondContact O-N 3.1Å
1039	A	77.8	Confident	73.2	Confident	14 Å²	14	85.1 Å²	85.1	12%	0.116	48%	0.479	C	S	.	.	H	α-helix	trans	-76.3	-11.7	172.5	0	0	0	0	0	115.6	S499 R500 D1035 I1041 K1042 A1043	S499-A1039 VanDerWaalsContact CA-CB 3.5Å; S499-A1039 WeakPolarHBondContact O-CA 3.4Å; S499-A1039 WeakPolarHBondContact O-CB 3.43Å; S499-A1039 PolarHBondContact O-N 3.02Å; R500-A1039 WeakPolarHBondContact O-CB 3.26Å; D1035-A1039 PolarHBondContact O-N 3Å; A1039-I1041 PolarHBondContact O-N 2.81Å; A1039-K1042 HydrophobicContact CB-CB 3.99Å; A1039-K1042 CarbonylContact O-C 3.6Å; A1039-K1042 PolarHBondContact O-N 2.99Å; A1039-A1043 WeakPolarHBondContact O-CB 3.39Å; A1039-A1043 PolarHBondContact O-N 3.45Å
1040	E	72	Confident	71.6	Confident	90 Å²	90	88.1 Å²	88.1	42%	0.421	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-23.2	157.3	-68.3	169.1	168.7	0	0	111.3	D1036 A1037 I1038 T1045 G1046	D1036-E1040 VanDerWaalsContact O-CG 3.31Å; D1036-E1040 WeakPolarHBondContact O-CG 3.36Å; D1036-E1040 PolarHBondContact O-N 3.15Å; A1037-E1040 WeakPolarHBondContact CA-OE2 3.44Å; I1038-E1040 PolarHBondContact O-N 3.49Å; E1040-T1045 PolarHBondContact O-N 3.2Å; E1040-T1045 VanDerWaalsContact O-N 3.11Å; E1040-T1045 PolarHBondContact O-OG1 3.19Å; E1040-G1046 PolarHBondContact O-N 2.83Å
1041	I	72.9	Confident	70	Confident	105 Å²	105	88.9 Å²	88.9	54%	0.538	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-2.1	175.1	-63.3	162.8	0	0	0	113.1	K498 I1038 A1039	K498-I1041 HydrophobicContact CD-CB 3.83Å; K498-I1041 HydrophobicContact CD-CG2 3.65Å; I1038-I1041 CarbonylContact O-C 3.54Å; I1038-I1041 WeakPolarHBondContact O-CA 3.29Å; I1038-I1041 WeakPolarHBondContact O-CB 3.2Å; I1038-I1041 PolarHBondContact O-N 3.19Å; A1039-I1041 PolarHBondContact O-N 2.81Å
1042	K	73.6	Confident	68.4	Low	162 Å²	162	89 Å²	89	70%	0.704	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-33.4	167	-174.3	176.6	173.5	-171.1	0	112.4	K498 I1038 A1039 G1044	K498-K1042 HydrophobicContact CB-CB 3.9Å; K498-K1042 WeakPolarHBondContact O-CD 3.34Å; I1038-K1042 PolarHBondContact O-N 3.1Å; A1039-K1042 HydrophobicContact CB-CB 3.99Å; A1039-K1042 CarbonylContact O-C 3.6Å; A1039-K1042 PolarHBondContact O-N 2.99Å; K1042-G1044 VanDerWaalsContact C-N 3.29Å
1043	A	68.2	Low	66.8	Low	76 Å²	76	90.6 Å²	90.6	63%	0.628	51%	0.51	S	S	*	.	S	Bend	trans	-81.9	-6.2	169.9	0	0	0	0	0	112.9	A1039 T1045	A1039-A1043 WeakPolarHBondContact O-CB 3.39Å; A1039-A1043 PolarHBondContact O-N 3.45Å; A1043-T1045 VanDerWaalsContact C-N 3.27Å; A1043-T1045 PolarHBondContact O-N 2.83Å
1044	G	65.1	Low	65.8	Low	52 Å²	52	87 Å²	87	54%	0.536	50%	0.498	S	S	.	.	S	Bend	trans	76.8	2.4	174.5	0	0	0	0	0	115.9	K1042	K1042-G1044 VanDerWaalsContact C-N 3.29Å
1045	T	62.8	Low	64.8	Low	103 Å²	103	87.9 Å²	87.9	63%	0.632	50%	0.501	S	S	*	.			trans	-79.3	-15	-171.7	46.9	0	0	0	0	115.2	E1040 A1043 V1047	E1040-T1045 PolarHBondContact O-N 3.2Å; E1040-T1045 VanDerWaalsContact O-N 3.11Å; E1040-T1045 PolarHBondContact O-OG1 3.19Å; A1043-T1045 VanDerWaalsContact C-N 3.27Å; A1043-T1045 PolarHBondContact O-N 2.83Å; T1045-V1047 PolarHBondContact O-N 2.94Å
1046	G	53.3	Low	63.6	Low	51 Å²	51	90.2 Å²	90.2	53%	0.526	51%	0.513	S	S	.	.			trans	-72.2	48.5	-177.8	0	0	0	0	0	116.2	E1040	E1040-G1046 PolarHBondContact O-N 2.83Å
1047	V	53	Low	62.8	Low	102 Å²	102	98.3 Å²	98.3	62%	0.618	54%	0.54	S	S	*	.			trans	-102.9	129.3	-176.6	173.4	0	0	0	0	110.9	T1045	T1045-V1047 PolarHBondContact O-N 2.94Å
1048	Q	53.4	Low	61.9	Low	193 Å²	193	108.3 Å²	108.3	90%	0.902	57%	0.573	S	S	*	*	S	Bend	trans	73.8	31.3	168.7	-67.4	177.4	46.4	0	0	120.5
1049	S	51	Low	61.1	Low	92 Å²	92	112.7 Å²	112.7	64%	0.643	60%	0.596	S	S	*	*	S	Bend	trans	-139	81	166.5	59.8	0	0	0	0	116.3	F1051	S1049-F1051 PolarHBondContact O-N 3.24Å
1050	N	54.2	Low	60.3	Low	175 Å²	175	117.8 Å²	117.8	94%	0.936	62%	0.621	S	S	*	*			trans	48.9	12.4	149.8	-66.2	-24.2	0	0	0	120.8	N1052	N1050-N1052 PolarHBondContact O-N 2.71Å
1051	F	55.2	Low	59.6	Low	146 Å²	146	119.4 Å²	119.4	64%	0.64	63%	0.632	S	S	*	*			trans	-74	88.4	-175.7	-130.3	-80.4	0	0	0	112.4	S1049	S1049-F1051 PolarHBondContact O-N 3.24Å
1052	N	53.8	Low	58.8	Low	108 Å²	108	120.2 Å²	120.2	58%	0.578	64%	0.638	S	S	*	*			trans	-73	131.7	-168.8	-163.6	-26.3	0	0	0	112.2	N1050 G1054 D1055	N1050-N1052 PolarHBondContact O-N 2.71Å; N1052-G1054 PolarHBondContact O-N 2.86Å; N1052-G1054 PolarHBondContact OD1-N 3.38Å; N1052-D1055 PolarHBondContact O-N 2.84Å
1053	F	50.4	Low	57.9	Low	129 Å²	129	117.6 Å²	117.6	57%	0.566	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-0.5	178.1	-82	-79.1	0	0	0	115.1	I1056 R1057	F1053-I1056 HydrophobicContact CD1-CD1 4.36Å; F1053-R1057 PolarHBondContact O-NE 2.92Å; F1053-R1057 PolarHBondContact O-NH2 3.34Å
1054	G	64.1	Low	57.2	Low	30 Å²	30	120.4 Å²	120.4	31%	0.309	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-36.2	165.7	0	0	0	0	0	113.6	N1052 R1057	N1052-G1054 PolarHBondContact O-N 2.86Å; N1052-G1054 PolarHBondContact OD1-N 3.38Å; G1054-R1057 WeakPolarHBondContact O-CB 3.44Å; G1054-R1057 PolarHBondContact O-N 3.27Å; G1054-R1057 VanDerWaalsContact O-N 3.13Å
1055	D	62.5	Low	56.7	Low	80 Å²	80	125.3 Å²	125.3	43%	0.428	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-87.2	-22	-169.3	-59.6	-43.8	0	0	0	113	N1052 R1057 R1058	N1052-D1055 PolarHBondContact O-N 2.84Å; D1055-R1057 PolarHBondContact O-N 3.39Å; D1055-R1058 PolarHBondContact O-N 3.28Å; D1055-R1058 IonicContact OD1-CZ 3.59Å; D1055-R1058 IonicContact OD1-NE 3.17Å; D1055-R1058 PolarHBondContact OD1-NE 3.19Å; D1055-R1058 IonicContact OD1-NH2 3.86Å; D1055-R1058 PolarHBondContact OD1-NH2 3.21Å; D1055-R1058 VanDerWaalsContact OD1-NH2 3.12Å
1056	I	60.1	Low	56.2	Low	106 Å²	106	127 Å²	127	54%	0.544	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-66.7	-10.5	163.2	-61.5	165.9	0	0	0	111.7	F1053	F1053-I1056 HydrophobicContact CD1-CD1 4.36Å
1057	R	63.4	Low	56.4	Low	204 Å²	204	133.3 Å²	133.3	77%	0.77	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-105.3	12.9	176.6	-71.4	-173.4	-95.1	-165.8	-5.5	113.9	F1053 G1054 D1055	F1053-R1057 PolarHBondContact O-NE 2.92Å; F1053-R1057 PolarHBondContact O-NH2 3.34Å; G1054-R1057 WeakPolarHBondContact O-CB 3.44Å; G1054-R1057 PolarHBondContact O-N 3.27Å; G1054-R1057 VanDerWaalsContact O-N 3.13Å; D1055-R1057 PolarHBondContact O-N 3.39Å
1058	R	56.1	Low	56.7	Low	235 Å²	235	136.2 Å²	136.2	89%	0.887	66%	0.655	S	S	*	*			trans	-108	0	175.2	-58.8	-169.1	-154.5	-121	9.3	113.6	D1055	D1055-R1058 PolarHBondContact O-N 3.28Å; D1055-R1058 IonicContact OD1-CZ 3.59Å; D1055-R1058 IonicContact OD1-NE 3.17Å; D1055-R1058 PolarHBondContact OD1-NE 3.19Å; D1055-R1058 IonicContact OD1-NH2 3.86Å; D1055-R1058 PolarHBondContact OD1-NH2 3.21Å; D1055-R1058 VanDerWaalsContact OD1-NH2 3.12Å

Retrieved 1,058 of 1,058 residues in 117.4 ms (Link to these results)

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