A0A087YNI5_POEFO Loading...

Vitrin

Promotes matrix assembly and cell adhesiveness. Plays a role in spinal cord formation by regulating the proliferation and differentiation of neural stem cells.

AlphaFold DB , UniProt , Accession A0A087YNI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 819 aa.

						>A0A087YNI5_POEFO|A0A087YNI5
MIRSITVIFYAFLLSWACWAKPNGSKSKKPKQVVPDIECDVRAGKINLPEFIAKCPAHCKETKQQVYGTGVFASISSICNAAIHSGVITNAGGKVIVRKMAGQNVYKGSNSNGVRSLSLPKWRESFVVSVGKPKKGVIYPSTLDYAPSRPTYVKTGPKDTKLAALTTLPPTTAPEATTTTPEPTTTTAPTTTTTTTMPPPPPTTTKARAAVHKIRDAGSSHPYLAHVAAASSRQSQSAQGKSPSQVFRGSSYPNRYPQRASAGLRRPEAGSAIRRQPSSPVGPALNRAPPEQTPTTSQSNSAFPRRDWPPSSYSRPDWFPGARRPADVSYAVPDSGYAWSETETPEMPARDLRPDISEYERWLYSFGPYPPRSTDLDGSHKMPLHLPQGKVEPVDAWKQDANPYESGFSLREPEPLPRAPEPPASQGDPNCKVDLAFLMDGSWSIGKRRFKIQKDFLADVAQVINVGMAGPMMGIIQYGDEPVTEISLRAHSSSKDVKSAIDKIVQKGGMSNVGKALSYINKQYFSDANGNRGGAPNVAVVLVDGWPTDKVEEASRLARESGINIFFVTIEGPDENEKQNLVEANFVDKAVCRTNGFFSLPVNSWFALRKAVQPLVKRVCDTDRLVCSKTCLNANDIAFVIDGSSSVGTGNFRTVLQFVANVTREFEISDTDTRVGAVQYTYEQRLEFAFGQYNNKAELLNAIKRINYWSGGTSTGAAITFAAEQLFSKSKPNKRKIMIVITDGRSYDDVRAPALAVHRQGVIAYSIGIAWAAQDELEYIATDPDKEHSFFVDEFENLYRYVPKIIHNICQEFNSQPRN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.3	Low	52.9	Low	236 Å²	236	144.6 Å²	144.6	100%	1.163	74%	0.736	S	S	*	*				0	-173.8	0	-66.2	177.4	-176.9	0	0	108.8
2	I	51.3	Low	52.6	Low	163 Å²	163	146.1 Å²	146.1	84%	0.836	73%	0.734	S	S	*	*			trans	66	32.8	-175.7	-37.3	167.4	0	0	0	114.9
3	R	49.3	Very low	52.2	Low	224 Å²	224	145.8 Å²	145.8	85%	0.845	74%	0.735	S	S	*	*	S	Bend	trans	-136.3	12.7	166.9	-81.4	-163.9	172.6	-176.2	-2.1	115.5
4	S	54.2	Low	51.8	Low	108 Å²	108	146.4 Å²	146.4	76%	0.755	74%	0.74	S	S	*	*	S	Bend	trans	-131.5	24.2	-176.1	-50.3	0	0	0	0	114.1
5	I	54.6	Low	51.7	Low	129 Å²	129	141.9 Å²	141.9	66%	0.662	73%	0.727	S	S	*	*	S	Bend	trans	-124.9	-33.3	176.4	-63	179.4	0	0	0	111	V7 I8	I5-V7 PolarHBondContact O-N 3.26Å; I5-V7 VanDerWaalsContact O-N 3.1Å; I5-I8 PolarHBondContact O-N 3.1Å
6	T	53.4	Low	51.2	Low	91 Å²	91	148.7 Å²	148.7	56%	0.558	74%	0.741	S	S	*	*	H	α-helix	trans	-62.2	-19.1	-177.6	-6.2	0	0	0	0	115
7	V	56.7	Low	50.5	Low	112 Å²	112	144.9 Å²	144.9	68%	0.679	74%	0.739	S	S	*	*	H	α-helix	trans	-81.2	-31	-179.1	-177.7	0	0	0	0	112.3	I5	I5-V7 PolarHBondContact O-N 3.26Å; I5-V7 VanDerWaalsContact O-N 3.1Å
8	I	54.3	Low	49.6	Very low	122 Å²	122	143.4 Å²	143.4	63%	0.626	74%	0.742	S	S	*	*	H	α-helix	trans	-79.1	-35.3	-177.9	-62.6	178.9	0	0	0	111.1	I5 Y10 A11	I5-I8 PolarHBondContact O-N 3.1Å; I8-Y10 PolarHBondContact O-N 3.47Å; I8-A11 PolarHBondContact O-N 3.29Å
9	F	50.5	Low	48.8	Very low	152 Å²	152	149.1 Å²	149.1	67%	0.667	75%	0.753	S	S	*	*	H	α-helix	trans	-67.9	-33.8	177.4	-106	-90.9	0	0	0	113.6	A11	F9-A11 VanDerWaalsContact C-N 3.32Å
10	Y	49.3	Very low	48.3	Very low	182 Å²	182	145.7 Å²	145.7	71%	0.714	75%	0.749	S	S	*	*	H	α-helix	trans	-74	-20.6	175.3	-99.6	-82.2	0	0	0	113.8	I8	I8-Y10 PolarHBondContact O-N 3.47Å
11	A	53.8	Low	47.6	Very low	72 Å²	72	147.4 Å²	147.4	60%	0.595	75%	0.751	S	S	*	*	H	α-helix	trans	-77.7	-25.7	175.9	0	0	0	0	0	113.3	I8 F9	I8-A11 PolarHBondContact O-N 3.29Å; F9-A11 VanDerWaalsContact C-N 3.32Å
12	F	49.8	Very low	46.9	Very low	162 Å²	162	141.8 Å²	141.8	71%	0.711	73%	0.732	S	S	*	*	H	α-helix	trans	-97.9	-12.2	-174.6	-117.5	-89.3	0	0	0	115.2	S15	F12-S15 PolarHBondContact O-OG 3.5Å
13	L	46.7	Very low	46.5	Very low	142 Å²	142	142.1 Å²	142.1	74%	0.743	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	7.5	177	-76.8	168.6	0	0	0	114.2
14	L	47.3	Very low	45.8	Very low	154 Å²	154	134.4 Å²	134.4	81%	0.806	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	10.7	178.2	-100.6	164	0	0	0	114.2
15	S	50.1	Low	45.2	Very low	79 Å²	79	134.6 Å²	134.6	55%	0.552	73%	0.727	S	S	*	*	S	Bend	trans	-112.6	-14.8	-176.1	59.8	0	0	0	0	115.9	F12	F12-S15 PolarHBondContact O-OG 3.5Å
16	W	44.1	Very low	44.4	Very low	251 Å²	251	137.4 Å²	137.4	95%	0.951	74%	0.735	S	S	*	*	S	Bend	trans	-135.3	72	179.4	-91.7	-2.9	0	0	0	113.6
17	A	39	Very low	44	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	74%	0.744	S	S	*	*	S	Bend	trans	-149.6	162.5	157.7	0	0	0	0	0	110.2
18	C	34.1	Very low	43.6	Very low	118 Å²	118	142.2 Å²	142.2	80%	0.797	75%	0.752	S	S	*	*			trans	60	48.7	169.5	-64.3	0	0	0	0	117.7	A20	C18-A20 PolarHBondContact O-N 3.36Å; C18-A20 VanDerWaalsContact O-N 3.16Å
19	W	34.8	Very low	43.3	Very low	250 Å²	250	145.4 Å²	145.4	95%	0.947	76%	0.761	S	S	*	*			trans	-77.7	35	147.4	-100.5	51.5	0	0	0	112.6	K21	W19-K21 PolarHBondContact O-N 3.09Å
20	A	38.1	Very low	43.4	Very low	81 Å²	81	144.3 Å²	144.3	67%	0.669	77%	0.77	S	S	*	*			trans	-79.5	99.9	165.7	0	0	0	0	0	107.9	C18 P22	C18-A20 PolarHBondContact O-N 3.36Å; C18-A20 VanDerWaalsContact O-N 3.16Å; A20-P22 WeakPolarHBondContact O-CD 3.41Å
21	K	34.8	Very low	43.9	Very low	183 Å²	183	145.1 Å²	145.1	80%	0.796	78%	0.777	S	S	*	*			trans	-59.5	121.3	176	-73.9	177.2	179.2	170	0	109	W19	W19-K21 PolarHBondContact O-N 3.09Å
22	P	38.7	Very low	44.6	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	76%	0.763	S	S	*	*			trans	-59.7	147.8	169.9	27.2	-34.1	0	0	0	108.9	A20 G24	A20-P22 WeakPolarHBondContact O-CD 3.41Å; P22-G24 PolarHBondContact O-N 3.34Å
23	N	43.2	Very low	46.1	Very low	170 Å²	170	141.8 Å²	141.8	91%	0.909	76%	0.758	S	S	*	*			trans	-60	105.5	-169.3	-126.8	-23.9	0	0	0	110.4	S25	N23-S25 VanDerWaalsContact C-N 3.33Å; N23-S25 PolarHBondContact O-N 3.18Å
24	G	33.9	Very low	47.9	Very low	61 Å²	61	135.7 Å²	135.7	63%	0.629	73%	0.726	S	S	*	*			trans	-70.8	85.4	-168.7	0	0	0	0	0	111.5	P22 K26	P22-G24 PolarHBondContact O-N 3.34Å; G24-K26 PolarHBondContact O-N 3.16Å
25	S	42.2	Very low	50	Low	113 Å²	113	129.3 Å²	129.3	79%	0.79	69%	0.694	S	S	*	*			trans	-48.6	107.7	165.4	-179.6	0	0	0	0	107.9	N23 S27	N23-S25 VanDerWaalsContact C-N 3.33Å; N23-S25 PolarHBondContact O-N 3.18Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.18Å
26	K	37.7	Very low	51.9	Low	188 Å²	188	129.5 Å²	129.5	82%	0.817	69%	0.689	S	S	*	*			trans	-68.5	95	-177	-71.3	177.8	-178.9	171.5	0	107.3	G24 K28	G24-K26 PolarHBondContact O-N 3.16Å; K26-K28 VanDerWaalsContact C-N 3.28Å; K26-K28 PolarHBondContact O-N 3.25Å
27	S	45	Very low	54.2	Low	109 Å²	109	117.9 Å²	117.9	76%	0.762	65%	0.645	S	S	*	*			trans	-58	94.5	172.2	47.9	0	0	0	0	108.4	S25 K29	S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.18Å; S27-K29 PolarHBondContact O-N 3.28Å
28	K	47.2	Very low	56.6	Low	195 Å²	195	120.7 Å²	120.7	85%	0.848	64%	0.644	S	S	*	*			trans	-61.3	106.2	177.9	-69.4	175.4	-177.6	167.5	0	105.8	K26	K26-K28 VanDerWaalsContact C-N 3.28Å; K26-K28 PolarHBondContact O-N 3.25Å
29	K	48.4	Very low	59.3	Low	188 Å²	188	116 Å²	116	82%	0.817	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-46.3	132.2	173.9	-69.7	-170	174.3	-168.2	0	108.2	S27 K31	S27-K29 PolarHBondContact O-N 3.28Å; K29-K31 PolarHBondContact O-N 3.47Å; K29-K31 VanDerWaalsContact O-N 3.13Å
30	P	52.4	Low	61.7	Low	129 Å²	129	106.8 Å²	106.8	84%	0.838	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.8	-176	20.4	-32	0	0	0	108.9	Q32	P30-Q32 PolarHBondContact O-N 3.41Å; P30-Q32 VanDerWaalsContact O-N 3.13Å
31	K	60.2	Low	64.1	Low	200 Å²	200	103.9 Å²	103.9	87%	0.87	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-63.4	118.7	-179.8	-75.1	-177.6	177.9	178.2	0	107.4	K29 V33	K29-K31 PolarHBondContact O-N 3.47Å; K29-K31 VanDerWaalsContact O-N 3.13Å; K31-V33 PolarHBondContact O-N 2.75Å
32	Q	69.7	Low	66.8	Low	65 Å²	65	97.4 Å²	97.4	30%	0.304	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-55.5	116.1	174.3	-173	178.9	25.4	0	0	109.4	P30 V34 Y139	P30-Q32 PolarHBondContact O-N 3.41Å; P30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-V34 PolarHBondContact O-N 2.88Å; Q32-Y139 VanDerWaalsContact NE2-CB 3.34Å; Q32-Y139 PolarHBondContact NE2-O 2.85Å
33	V	80.8	Confident	69.1	Low	98 Å²	98	91.8 Å²	91.8	59%	0.594	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-62.9	131.6	170.2	-179.9	0	0	0	0	107.1	K31	K31-V33 PolarHBondContact O-N 2.75Å
34	V	85.3	Confident	70.9	Confident	15 Å²	15	83.9 Å²	83.9	9%	0.091	45%	0.448	C	S	.	.			trans	-118.1	118.2	175.6	171.9	0	0	0	0	106.3	Q32 I52 K54 K94	Q32-V34 PolarHBondContact O-N 2.88Å; V34-I52 HydrophobicContact CG1-CD1 4.44Å; V34-I52 HydrophobicContact CG1-CG1 3.91Å; V34-I52 HydrophobicContact CG1-CG2 4.19Å; V34-I52 HydrophobicContact CG2-CD1 3.95Å; V34-I52 HydrophobicContact CG2-CG1 4.23Å; V34-I52 HydrophobicContact CG2-CG2 3.92Å; V34-K54 HydrophobicContact CG1-CB 4.14Å; V34-K94 HydrophobicContact CB-CD 4.21Å; V34-K94 HydrophobicContact CG1-CD 4.11Å; V34-K94 HydrophobicContact CG1-CG 4.25Å; V34-K94 HydrophobicContact CG2-CD 4.04Å
35	P	89.4	Confident	73.2	Confident	20 Å²	20	83 Å²	83	13%	0.13	43%	0.427	C	S	.	.			trans	-66.6	144.7	-177.5	25.3	-32.4	0	0	0	111.5	A53 K54 L143	P35-A53 CarbonylContact O-C 3.54Å; P35-A53 WeakPolarHBondContact O-CA 3.48Å; P35-K54 PolarHBondContact O-N 3.36Å; P35-L143 HydrophobicContact CB-CD1 4.23Å; P35-L143 HydrophobicContact CB-CG 3.98Å; P35-L143 HydrophobicContact CG-CD1 3.95Å; P35-L143 HydrophobicContact CG-CD2 3.68Å; P35-L143 HydrophobicContact CG-CG 3.46Å; P35-L143 VanDerWaalsContact CG-CG 3.46Å
36	D	89.9	Confident	75.2	Confident	82 Å²	82	77.6 Å²	77.6	44%	0.439	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-83.4	148.1	171.6	-85.7	-68.7	0	0	0	110.9	K54 Y145	D36-K54 WeakPolarHBondContact CA-O 3.1Å; D36-K54 WeakPolarHBondContact OD1-CB 3.33Å; D36-K54 VanDerWaalsContact OD1-CD 3.31Å; D36-K54 WeakPolarHBondContact OD1-CD 3.46Å; D36-K54 WeakPolarHBondContact OD1-CE 3.43Å; D36-K54 WeakPolarHBondContact OD1-CG 3.36Å; D36-K54 IonicContact OD1-NZ 2.78Å; D36-K54 PolarHBondContact OD1-NZ 3.25Å; D36-K54 IonicContact OD2-NZ 2.68Å; D36-K54 PolarHBondContact OD2-NZ 3.03Å; D36-Y145 PolarHBondContact O-OH 2.79Å
37	I	92.4	Very high	77.2	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.036	37%	0.368	C	S	.	.			trans	-129.5	149.5	177.7	54.7	168.2	0	0	0	110.7	V41 A53 K54 P56 I78 C79 L143 Y145	I37-V41 HydrophobicContact CB-CB 4.34Å; I37-V41 HydrophobicContact CB-CG2 4.22Å; I37-A53 HydrophobicContact CD1-CB 3.8Å; I37-A53 HydrophobicContact CG1-CB 4Å; I37-A53 HydrophobicContact CG2-CB 3.85Å; I37-K54 WeakPolarHBondContact CG1-O 3.24Å; I37-K54 PolarHBondContact N-O 3.15Å; I37-P56 WeakPolarHBondContact O-CD 3.33Å; I37-I78 HydrophobicContact CD1-CB 3.89Å; I37-I78 HydrophobicContact CD1-CD1 4.03Å; I37-I78 HydrophobicContact CD1-CG2 3.69Å; I37-C79 VanDerWaalsContact CD1-SG 3.55Å; I37-L143 HydrophobicContact CG2-CD1 3.36Å; I37-Y145 WeakPolarHBondContact CG2-OH 3.49Å
38	E	90.6	Very high	79.1	Confident	144 Å²	144	68.2 Å²	68.2	67%	0.673	34%	0.339	S	S	*	.			trans	-77.4	161.7	172	-65.8	-172.5	-141.6	0	0	112.1	D40 V41	E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 WeakPolarHBondContact CB-OD1 3.41Å; E38-D40 PolarHBondContact O-N 3.31Å; E38-V41 HydrophobicContact CB-CG2 4.02Å; E38-V41 WeakPolarHBondContact O-CB 3.38Å; E38-V41 WeakPolarHBondContact O-CG2 3.5Å; E38-V41 PolarHBondContact O-N 3.1Å
39	C	90.8	Very high	80.9	Confident	20 Å²	20	63.4 Å²	63.4	14%	0.135	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.8	-171.5	-66.2	0	0	0	0	114.5	C59 T62 S77	C39-C59 VanDerWaalsContact CA-SG 3.56Å; C39-C59 HydrophobicContact CB-CB 3.58Å; C39-C59 WeakPolarHBondContact CB-SG 3.47Å; C39-C59 WeakPolarHBondContact SG-CA 3.48Å; C39-C59 WeakPolarHBondContact SG-CB 3.26Å; C39-C59 CovalentContact SG-SG 2.04Å; C39-C59 PolarHBondContact SG-SG 2.79Å; C39-T62 HydrophobicContact CB-CG2 3.78Å; C39-S77 WeakPolarHBondContact O-CB 3.41Å; C39-S77 PolarHBondContact O-OG 3.34Å
40	D	84.9	Confident	82.8	Confident	57 Å²	57	56.4 Å²	56.4	31%	0.305	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-14.4	179.1	69.6	-33	0	0	0	113.3	E38 R42 Q64	E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 WeakPolarHBondContact CB-OD1 3.41Å; E38-D40 PolarHBondContact O-N 3.31Å; D40-R42 PolarHBondContact O-N 3.2Å; D40-Q64 HydrophobicContact CB-CG 3.88Å; D40-Q64 VanDerWaalsContact CB-NE2 3.28Å
41	V	88.9	Confident	84.7	Confident	19 Å²	19	50.3 Å²	50.3	12%	0.115	26%	0.258	C	S	.	.			trans	-53.8	112.5	-179.5	179.9	0	0	0	0	110.1	I37 E38 I46 I78 Y145	I37-V41 HydrophobicContact CB-CB 4.34Å; I37-V41 HydrophobicContact CB-CG2 4.22Å; E38-V41 HydrophobicContact CB-CG2 4.02Å; E38-V41 WeakPolarHBondContact O-CB 3.38Å; E38-V41 WeakPolarHBondContact O-CG2 3.5Å; E38-V41 PolarHBondContact O-N 3.1Å; V41-I46 HydrophobicContact CG1-CD1 3.86Å; V41-I78 HydrophobicContact CG1-CD1 3.93Å; V41-I78 WeakPolarHBondContact O-CG1 3.49Å; V41-I78 PolarHBondContact O-N 3.13Å; V41-Y145 HydrophobicContact CG1-CE1 4.17Å
42	R	90.3	Very high	86.1	Confident	48 Å²	48	40.9 Å²	40.9	18%	0.181	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-77.2	147.9	176	-57	177.4	177.5	177.6	-2.3	109.7	D40 G44 K45 I75 S76	D40-R42 PolarHBondContact O-N 3.2Å; R42-G44 PolarHBondContact O-N 3.45Å; R42-K45 PolarHBondContact O-N 3.02Å; R42-I75 WeakPolarHBondContact CD-O 3.42Å; R42-I75 WeakPolarHBondContact CG-O 3.35Å; R42-S76 WeakPolarHBondContact CA-O 3.39Å
43	A	88.6	Confident	87.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-61.9	-32.1	174.7	0	0	0	0	0	112.3	K45 I46 S74 S76 I78 K99 F126	A43-K45 VanDerWaalsContact C-N 3.31Å; A43-K45 PolarHBondContact O-N 3.09Å; A43-I46 PolarHBondContact O-N 2.99Å; A43-S74 PolarHBondContact N-O 3.33Å; A43-S76 PolarHBondContact N-O 3.3Å; A43-I78 HydrophobicContact CB-CG1 4.02Å; A43-K99 WeakPolarHBondContact O-CE 3.35Å; A43-K99 PolarHBondContact O-NZ 2.81Å; A43-F126 HydrophobicContact CB-CB 4.15Å; A43-F126 HydrophobicContact CB-CD1 3.23Å; A43-F126 HydrophobicContact CB-CD2 4.04Å; A43-F126 HydrophobicContact CB-CE1 3.37Å; A43-F126 HydrophobicContact CB-CE2 4.17Å; A43-F126 HydrophobicContact CB-CG 3.56Å; A43-F126 HydrophobicContact CB-CZ 3.85Å
44	G	80.9	Confident	87.9	Confident	3 Å²	3	37 Å²	37	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-44.6	175.9	0	0	0	0	0	113.3	R42 I46 S74 K99	R42-G44 PolarHBondContact O-N 3.45Å; G44-I46 PolarHBondContact O-N 2.67Å; G44-S74 PolarHBondContact N-O 3.11Å; G44-K99 PolarHBondContact O-NZ 3.41Å
45	K	80.9	Confident	88.3	Confident	42 Å²	42	36.4 Å²	36.4	18%	0.183	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-3.1	-174.3	-69.2	-151.6	175.5	-162.1	0	115.9	R42 A43 Y145 A146 E778 D785	R42-K45 PolarHBondContact O-N 3.02Å; A43-K45 VanDerWaalsContact C-N 3.31Å; A43-K45 PolarHBondContact O-N 3.09Å; K45-Y145 CarbonylContact O-C 3.57Å; K45-Y145 WeakPolarHBondContact O-CA 3.49Å; K45-A146 PolarHBondContact O-N 3.42Å; K45-E778 IonicContact NZ-OE2 2.89Å; K45-E778 PolarHBondContact NZ-OE2 3.05Å; K45-D785 WeakPolarHBondContact CE-OD2 3.38Å; K45-D785 WeakPolarHBondContact CG-OD2 3.13Å
46	I	85.8	Confident	88.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-113.9	124.2	178.3	-67.1	161	0	0	0	109.6	V41 A43 G44 L48 F51 I78 K99 L143 Y145	V41-I46 HydrophobicContact CG1-CD1 3.86Å; A43-I46 PolarHBondContact O-N 2.99Å; G44-I46 PolarHBondContact O-N 2.67Å; I46-L48 HydrophobicContact CG2-CB 4.07Å; I46-L48 HydrophobicContact CG2-CD1 4.43Å; I46-L48 HydrophobicContact CG2-CG 4.26Å; I46-L48 PolarHBondContact O-N 3.3Å; I46-F51 HydrophobicContact CB-CE1 3.97Å; I46-F51 HydrophobicContact CB-CZ 3.9Å; I46-F51 HydrophobicContact CD1-CD2 4.49Å; I46-F51 HydrophobicContact CD1-CE1 4.43Å; I46-F51 HydrophobicContact CD1-CE2 3.59Å; I46-F51 HydrophobicContact CD1-CZ 3.54Å; I46-F51 HydrophobicContact CG1-CZ 4.34Å; I46-F51 HydrophobicContact CG2-CD1 3.77Å; I46-F51 HydrophobicContact CG2-CD2 4.35Å; I46-F51 HydrophobicContact CG2-CE1 3.56Å; I46-F51 HydrophobicContact CG2-CE2 4.18Å; I46-F51 HydrophobicContact CG2-CG 4.15Å; I46-F51 HydrophobicContact CG2-CZ 3.77Å; I46-I78 HydrophobicContact CD1-CD1 3.77Å; I46-K99 WeakPolarHBondContact O-CE 3.39Å; I46-K99 PolarHBondContact O-NZ 2.74Å; I46-L143 HydrophobicContact CD1-CD1 3.85Å; I46-L143 HydrophobicContact CG2-CB 4.41Å; I46-L143 HydrophobicContact CG2-CD2 4.48Å; I46-Y145 HydrophobicContact CD1-CD1 4.45Å; I46-Y145 HydrophobicContact CD1-CE1 4.2Å; I46-Y145 HydrophobicContact CG1-CD1 3.86Å; I46-Y145 HydrophobicContact CG1-CE1 4.11Å
47	N	79.7	Confident	88.8	Confident	69 Å²	69	36 Å²	36	37%	0.369	19%	0.193	S	C	.	.			trans	-71.6	-9.7	-174.7	-89.3	13.9	0	0	0	115	D144 K786	N47-D144 HydrophobicContact CB-CB 4.04Å; N47-D144 WeakPolarHBondContact CB-OD2 3.11Å; N47-D144 PolarHBondContact N-O 3.17Å; N47-D144 PolarHBondContact ND2-OD2 3.01Å; N47-K786 VanDerWaalsContact CG-NZ 3.32Å; N47-K786 WeakPolarHBondContact ND2-CE 3.19Å; N47-K786 PolarHBondContact ND2-NZ 3.01Å; N47-K786 WeakPolarHBondContact OD1-CD 3.33Å; N47-K786 PolarHBondContact OD1-NZ 3.15Å
48	L	83.5	Confident	88.8	Confident	32 Å²	32	41 Å²	41	17%	0.168	22%	0.216	C	C	.	.			trans	-84.9	127.8	-170.9	-62	173.5	0	0	0	111.5	I46 E50 F51 P140 L143	I46-L48 HydrophobicContact CG2-CB 4.07Å; I46-L48 HydrophobicContact CG2-CD1 4.43Å; I46-L48 HydrophobicContact CG2-CG 4.26Å; I46-L48 PolarHBondContact O-N 3.3Å; L48-E50 PolarHBondContact O-N 3.17Å; L48-F51 HydrophobicContact CB-CB 3.87Å; L48-F51 HydrophobicContact CB-CD1 3.84Å; L48-F51 HydrophobicContact CB-CG 4.22Å; L48-F51 HydrophobicContact CD1-CB 3.83Å; L48-F51 WeakPolarHBondContact O-CD1 3.2Å; L48-P140 HydrophobicContact CD1-CB 4.15Å; L48-P140 HydrophobicContact CD1-CG 3.95Å; L48-P140 HydrophobicContact CD2-CG 4.18Å; L48-L143 HydrophobicContact CD1-CD2 4.05Å
49	P	84.4	Confident	88.8	Confident	93 Å²	93	34.1 Å²	34.1	60%	0.604	18%	0.184	S	C	*	.	S	Bend	trans	-72.9	-26.9	-177.9	27.7	-34.7	0	0	0	113.6	K99	P49-K99 PolarHBondContact O-N 3.27Å
50	E	90	Very high	88.6	Confident	42 Å²	42	37.5 Å²	37.5	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.9	162.3	-163.4	-179.1	117	0	0	109.1	L48 I96 V97 R98 K134 Y139	L48-E50 PolarHBondContact O-N 3.17Å; E50-I96 HydrophobicContact CG-CG2 4Å; E50-V97 WeakPolarHBondContact CA-O 3.47Å; E50-V97 WeakPolarHBondContact CG-O 3.31Å; E50-R98 HydrophobicContact CB-CG 4.24Å; E50-R98 HydrophobicContact CG-CB 3.94Å; E50-R98 HydrophobicContact CG-CG 4.06Å; E50-R98 WeakPolarHBondContact OE2-CD 3.47Å; E50-R98 IonicContact OE2-NE 3.03Å; E50-K134 WeakPolarHBondContact OE1-CE 3.27Å; E50-K134 IonicContact OE1-NZ 3.32Å; E50-K134 PolarHBondContact OE1-NZ 3.21Å; E50-K134 IonicContact OE2-NZ 2.69Å; E50-K134 PolarHBondContact OE2-NZ 2.95Å; E50-Y139 HydrophobicContact CG-CE1 3.93Å; E50-Y139 WeakPolarHBondContact OE1-CE1 3.14Å; E50-Y139 PolarHBondContact OE1-OH 2.84Å
51	F	91.2	Very high	88.4	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	166.3	-178.8	62.1	-87.8	0	0	0	112	I46 L48 A53 I78 I96 V97 L143	I46-F51 HydrophobicContact CB-CE1 3.97Å; I46-F51 HydrophobicContact CB-CZ 3.9Å; I46-F51 HydrophobicContact CD1-CD2 4.49Å; I46-F51 HydrophobicContact CD1-CE1 4.43Å; I46-F51 HydrophobicContact CD1-CE2 3.59Å; I46-F51 HydrophobicContact CD1-CZ 3.54Å; I46-F51 HydrophobicContact CG1-CZ 4.34Å; I46-F51 HydrophobicContact CG2-CD1 3.77Å; I46-F51 HydrophobicContact CG2-CD2 4.35Å; I46-F51 HydrophobicContact CG2-CE1 3.56Å; I46-F51 HydrophobicContact CG2-CE2 4.18Å; I46-F51 HydrophobicContact CG2-CG 4.15Å; I46-F51 HydrophobicContact CG2-CZ 3.77Å; L48-F51 HydrophobicContact CB-CB 3.87Å; L48-F51 HydrophobicContact CB-CD1 3.84Å; L48-F51 HydrophobicContact CB-CG 4.22Å; L48-F51 HydrophobicContact CD1-CB 3.83Å; L48-F51 WeakPolarHBondContact O-CD1 3.2Å; F51-A53 HydrophobicContact CD2-CB 4.23Å; F51-A53 HydrophobicContact CE2-CB 4.17Å; F51-I78 HydrophobicContact CE2-CD1 4.11Å; F51-I78 HydrophobicContact CZ-CD1 3.87Å; F51-I96 CarbonylContact O-C 2.95Å; F51-I96 WeakPolarHBondContact O-CA 3.44Å; F51-V97 HydrophobicContact CD1-CB 4.11Å; F51-V97 HydrophobicContact CD1-CG1 4.4Å; F51-V97 HydrophobicContact CD2-CB 4.17Å; F51-V97 HydrophobicContact CD2-CG2 4.33Å; F51-V97 HydrophobicContact CE1-CB 3.71Å; F51-V97 HydrophobicContact CE1-CG1 3.63Å; F51-V97 HydrophobicContact CE1-CG2 4.46Å; F51-V97 HydrophobicContact CE2-CB 3.75Å; F51-V97 HydrophobicContact CE2-CG1 4.32Å; F51-V97 HydrophobicContact CE2-CG2 3.68Å; F51-V97 HydrophobicContact CG-CB 4.35Å; F51-V97 HydrophobicContact CZ-CB 3.52Å; F51-V97 HydrophobicContact CZ-CG1 3.59Å; F51-V97 HydrophobicContact CZ-CG2 3.77Å; F51-V97 PolarHBondContact N-O 2.58Å; F51-V97 PolarHBondContact O-N 3.38Å; F51-L143 HydrophobicContact CB-CD2 4.03Å; F51-L143 HydrophobicContact CD2-CD2 3.62Å; F51-L143 HydrophobicContact CE2-CD2 4.36Å; F51-L143 HydrophobicContact CG-CD2 4.06Å
52	I	90.9	Very high	87.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.1	172.9	-168.5	170.4	0	0	0	109.3	V34 V95 I96 P133 Y139	V34-I52 HydrophobicContact CG1-CD1 4.44Å; V34-I52 HydrophobicContact CG1-CG1 3.91Å; V34-I52 HydrophobicContact CG1-CG2 4.19Å; V34-I52 HydrophobicContact CG2-CD1 3.95Å; V34-I52 HydrophobicContact CG2-CG1 4.23Å; V34-I52 HydrophobicContact CG2-CG2 3.92Å; I52-V95 WeakPolarHBondContact CA-O 3.45Å; I52-I96 HydrophobicContact CB-CG1 3.99Å; I52-I96 HydrophobicContact CD1-CD1 4.39Å; I52-I96 HydrophobicContact CD1-CG1 3.96Å; I52-I96 HydrophobicContact CG1-CG1 3.85Å; I52-P133 HydrophobicContact CD1-CG 4.2Å; I52-Y139 HydrophobicContact CB-CD2 4.42Å; I52-Y139 HydrophobicContact CB-CG 4.27Å; I52-Y139 HydrophobicContact CG2-CD2 4.21Å; I52-Y139 HydrophobicContact CG2-CG 3.97Å
53	A	93	Very high	86.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.8	178.6	0	0	0	0	0	110.5	P35 I37 F51 K94 V95 L143	P35-A53 CarbonylContact O-C 3.54Å; P35-A53 WeakPolarHBondContact O-CA 3.48Å; I37-A53 HydrophobicContact CD1-CB 3.8Å; I37-A53 HydrophobicContact CG1-CB 4Å; I37-A53 HydrophobicContact CG2-CB 3.85Å; F51-A53 HydrophobicContact CD2-CB 4.23Å; F51-A53 HydrophobicContact CE2-CB 4.17Å; A53-K94 CarbonylContact O-C 3.5Å; A53-K94 WeakPolarHBondContact O-CA 3.34Å; A53-V95 HydrophobicContact CB-CG1 4.46Å; A53-V95 PolarHBondContact N-O 2.9Å; A53-V95 PolarHBondContact O-N 3.01Å; A53-L143 HydrophobicContact CB-CD1 4.33Å
54	K	94.1	Very high	86.7	Confident	81 Å²	81	52.6 Å²	52.6	35%	0.352	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.4	175.3	179.9	176.3	151.6	-82.6	0	109.2	V34 P35 D36 I37 G93 K94	V34-K54 HydrophobicContact CG1-CB 4.14Å; P35-K54 PolarHBondContact O-N 3.36Å; D36-K54 WeakPolarHBondContact CA-O 3.1Å; D36-K54 WeakPolarHBondContact OD1-CB 3.33Å; D36-K54 VanDerWaalsContact OD1-CD 3.31Å; D36-K54 WeakPolarHBondContact OD1-CD 3.46Å; D36-K54 WeakPolarHBondContact OD1-CE 3.43Å; D36-K54 WeakPolarHBondContact OD1-CG 3.36Å; D36-K54 IonicContact OD1-NZ 2.78Å; D36-K54 PolarHBondContact OD1-NZ 3.25Å; D36-K54 IonicContact OD2-NZ 2.68Å; D36-K54 PolarHBondContact OD2-NZ 3.03Å; I37-K54 WeakPolarHBondContact CG1-O 3.24Å; I37-K54 PolarHBondContact N-O 3.15Å; K54-G93 WeakPolarHBondContact CA-O 3.48Å; K54-K94 HydrophobicContact CB-CG 4.34Å; K54-K94 HydrophobicContact CG-CG 4.45Å
55	C	95	Very high	86.8	Confident	3 Å²	3	57 Å²	57	2%	0.02	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.5	173.6	-71.3	0	0	0	0	110.2	C79 I88 G92 G93	C55-C79 HydrophobicContact CB-CB 3.81Å; C55-C79 WeakPolarHBondContact CB-SG 3.26Å; C55-C79 WeakPolarHBondContact SG-CA 3.38Å; C55-C79 WeakPolarHBondContact SG-CB 3.24Å; C55-C79 CovalentContact SG-SG 2.04Å; C55-C79 PolarHBondContact SG-SG 2.62Å; C55-I88 HydrophobicContact CB-CD1 3.62Å; C55-G92 VanDerWaalsContact O-CA 3.3Å; C55-G92 WeakPolarHBondContact O-CA 3.48Å; C55-G93 PolarHBondContact N-O 3.12Å; C55-G93 PolarHBondContact O-N 3.45Å
56	P	95.1	Very high	87.4	Confident	53 Å²	53	55.2 Å²	55.2	34%	0.344	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-71.5	173.8	168.7	32	-36.6	0	0	0	111.2	I37 G92	I37-P56 WeakPolarHBondContact O-CD 3.33Å; P56-G92 WeakPolarHBondContact O-CA 3.2Å
57	A	93	Very high	87.7	Confident	41 Å²	41	55.2 Å²	55.2	34%	0.339	28%	0.28	S	S	.	.	S	Bend	trans	-71.8	171.2	170.2	0	0	0	0	0	111.7	C59 N90	A57-C59 PolarHBondContact O-N 3.17Å; A57-C59 VanDerWaalsContact O-N 3.09Å; A57-N90 CarbonylContact C-O 3.56Å; A57-N90 VanDerWaalsContact CA-O 3.26Å; A57-N90 WeakPolarHBondContact CA-O 2.84Å; A57-N90 WeakPolarHBondContact CB-O 3.48Å
58	H	92.2	Very high	88.4	Confident	111 Å²	111	52 Å²	52	51%	0.514	26%	0.262	S	S	.	.			trans	65.7	4.7	171.7	-60.9	-82.1	0	0	0	117.3	K60 E61 N90	H58-K60 PolarHBondContact O-N 3.09Å; H58-E61 IonicContact CG-OE1 3.97Å; H58-E61 IonicContact CG-OE2 2.73Å; H58-E61 IonicContact ND1-OE1 2.59Å; H58-E61 PolarHBondContact ND1-OE1 2.89Å; H58-E61 IonicContact ND1-OE2 2.74Å; H58-E61 PolarHBondContact ND1-OE2 3.27Å; H58-E61 VanDerWaalsContact ND1-OE2 3.07Å; H58-E61 WeakPolarHBondContact O-CB 3.28Å; H58-E61 PolarHBondContact O-N 3.43Å; H58-N90 VanDerWaalsContact C-OD1 3.3Å; H58-N90 WeakPolarHBondContact CA-OD1 3.26Å; H58-N90 PolarHBondContact N-O 3.26Å
59	C	90.6	Very high	88.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-54.5	-28.1	179.2	-66.1	0	0	0	0	114.8	C39 A57 E61 T62 C79 N80 I83 N90	C39-C59 VanDerWaalsContact CA-SG 3.56Å; C39-C59 HydrophobicContact CB-CB 3.58Å; C39-C59 WeakPolarHBondContact CB-SG 3.47Å; C39-C59 WeakPolarHBondContact SG-CA 3.48Å; C39-C59 WeakPolarHBondContact SG-CB 3.26Å; C39-C59 CovalentContact SG-SG 2.04Å; C39-C59 PolarHBondContact SG-SG 2.79Å; A57-C59 PolarHBondContact O-N 3.17Å; A57-C59 VanDerWaalsContact O-N 3.09Å; C59-E61 PolarHBondContact O-N 2.82Å; C59-T62 WeakPolarHBondContact O-CB 3.44Å; C59-T62 PolarHBondContact O-N 2.92Å; C59-T62 PolarHBondContact O-OG1 2.77Å; C59-C79 HydrophobicContact CB-CB 4.03Å; C59-N80 WeakPolarHBondContact CB-OD1 3.44Å; C59-N80 PolarHBondContact O-ND2 2.74Å; C59-N80 PolarHBondContact O-OD1 2.87Å; C59-N80 VanDerWaalsContact O-OD1 3.06Å; C59-I83 HydrophobicContact CB-CD1 4.11Å; C59-N90 PolarHBondContact N-OD1 3.13Å
60	K	86.7	Confident	89.2	Confident	92 Å²	92	51.1 Å²	51.1	40%	0.4	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.9	175	-178.8	172.9	171.7	167	0	113.5	H58 T62 N90 G113 V114	H58-K60 PolarHBondContact O-N 3.09Å; K60-T62 VanDerWaalsContact C-N 3.35Å; K60-N90 HydrophobicContact CB-CB 4.48Å; K60-N90 WeakPolarHBondContact CB-OD1 3.29Å; K60-N90 PolarHBondContact N-OD1 3.17Å; K60-G113 WeakPolarHBondContact CE-O 3.43Å; K60-G113 PolarHBondContact NZ-O 2.72Å; K60-V114 HydrophobicContact CG-CG2 4.35Å
61	E	82.3	Confident	89.4	Confident	117 Å²	117	50.8 Å²	50.8	55%	0.547	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-78.1	-20.4	-177.3	-68.8	136.8	-113.7	0	0	112.6	H58 C59 K63 N90	H58-E61 IonicContact CG-OE1 3.97Å; H58-E61 IonicContact CG-OE2 2.73Å; H58-E61 IonicContact ND1-OE1 2.59Å; H58-E61 PolarHBondContact ND1-OE1 2.89Å; H58-E61 IonicContact ND1-OE2 2.74Å; H58-E61 PolarHBondContact ND1-OE2 3.27Å; H58-E61 VanDerWaalsContact ND1-OE2 3.07Å; H58-E61 WeakPolarHBondContact O-CB 3.28Å; H58-E61 PolarHBondContact O-N 3.43Å; C59-E61 PolarHBondContact O-N 2.82Å; E61-K63 PolarHBondContact O-N 2.74Å; E61-K63 VanDerWaalsContact O-N 3.15Å; E61-N90 PolarHBondContact OE1-ND2 2.87Å
62	T	73.2	Confident	89.6	Confident	61 Å²	61	50.7 Å²	50.7	37%	0.374	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-70.1	-7.8	-178.3	68	0	0	0	0	114.9	C39 C59 K60 Q64	C39-T62 HydrophobicContact CB-CG2 3.78Å; C59-T62 WeakPolarHBondContact O-CB 3.44Å; C59-T62 PolarHBondContact O-N 2.92Å; C59-T62 PolarHBondContact O-OG1 2.77Å; K60-T62 VanDerWaalsContact C-N 3.35Å; T62-Q64 PolarHBondContact O-N 2.99Å; T62-Q64 WeakPolarHBondContact OG1-CG 3.38Å
63	K	73.9	Confident	89.5	Confident	190 Å²	190	50.7 Å²	50.7	83%	0.826	27%	0.265	S	S	*	.			trans	56.6	12.8	-176.8	-56.8	176.1	-174.7	171	0	115.2	E61 Q65	E61-K63 PolarHBondContact O-N 2.74Å; E61-K63 VanDerWaalsContact O-N 3.15Å; K63-Q65 PolarHBondContact O-N 3.5Å
64	Q	83.6	Confident	89.3	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	27%	0.265	S	S	.	.			trans	-61.7	134.5	-178.2	-70.1	-68.5	-2.6	0	0	112.2	D40 T62 N80	D40-Q64 HydrophobicContact CB-CG 3.88Å; D40-Q64 VanDerWaalsContact CB-NE2 3.28Å; T62-Q64 PolarHBondContact O-N 2.99Å; T62-Q64 WeakPolarHBondContact OG1-CG 3.38Å; Q64-N80 PolarHBondContact O-ND2 3.07Å
65	Q	84.4	Confident	88.9	Confident	97 Å²	97	47.3 Å²	47.3	45%	0.453	25%	0.251	S	S	.	.			trans	-73.6	146.5	-167.8	-63.3	176.6	-2.2	0	0	112.5	K63 Y67 S77	K63-Q65 PolarHBondContact O-N 3.5Å; Q65-Y67 HydrophobicContact CB-CE2 3.79Å; Q65-Y67 PolarHBondContact OE1-OH 2.86Å; Q65-S77 PolarHBondContact O-N 3.41Å; Q65-S77 VanDerWaalsContact O-N 3.15Å
66	V	92.9	Very high	88.8	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.25	C	C	.	.			trans	-133.1	136.9	176.6	-179.7	0	0	0	0	108.8	F72 N80 A81 V114 S116 L117	V66-F72 HydrophobicContact CG1-CD1 3.46Å; V66-F72 VanDerWaalsContact CG1-CD1 3.46Å; V66-F72 HydrophobicContact CG1-CE1 3.62Å; V66-N80 HydrophobicContact CG2-CB 3.38Å; V66-A81 HydrophobicContact CG1-CB 4.12Å; V66-V114 HydrophobicContact CG2-CG1 4.25Å; V66-S116 CarbonylContact O-C 3.46Å; V66-S116 WeakPolarHBondContact O-CA 3.36Å; V66-S116 WeakPolarHBondContact O-CB 3.44Å; V66-L117 PolarHBondContact O-N 3.43Å
67	Y	92.9	Very high	88.8	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-124.8	123.4	-177.3	-67.4	-79.7	0	0	0	110.7	Q65 F72 A73 I75 S76 L117 L119 R759	Q65-Y67 HydrophobicContact CB-CE2 3.79Å; Q65-Y67 PolarHBondContact OE1-OH 2.86Å; Y67-F72 CarbonylContact O-C 3.5Å; Y67-F72 WeakPolarHBondContact O-CA 3.05Å; Y67-A73 PolarHBondContact O-N 2.86Å; Y67-I75 HydrophobicContact CD2-CG2 3.96Å; Y67-I75 HydrophobicContact CE2-CG2 4.43Å; Y67-S76 PolarHBondContact N-OG 3.41Å; Y67-S76 PolarHBondContact O-OG 2.79Å; Y67-L117 WeakPolarHBondContact CA-O 3.46Å; Y67-L117 HydrophobicContact CD1-CB 3.76Å; Y67-L117 HydrophobicContact CE1-CB 3.65Å; Y67-L117 HydrophobicContact CE1-CD1 3.9Å; Y67-L117 HydrophobicContact CE1-CG 4.35Å; Y67-L119 HydrophobicContact CD1-CB 3.86Å; Y67-L119 HydrophobicContact CD1-CD1 3.82Å; Y67-L119 HydrophobicContact CD1-CD2 4.35Å; Y67-L119 HydrophobicContact CD1-CG 4.23Å; Y67-L119 HydrophobicContact CE1-CD1 3.99Å; Y67-L119 HydrophobicContact CG-CB 4.27Å; Y67-L119 HydrophobicContact CG-CD1 4.36Å; Y67-L119 HydrophobicContact CG-CD2 4.14Å; Y67-R759 PolarHBondContact OH-NH2 3.43Å
68	G	93.5	Very high	88.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	95	-174.7	-175.8	0	0	0	0	0	115.2	V71 F72 K107 S116 L117	G68-V71 CarbonylContact C-O 3.54Å; G68-F72 WeakPolarHBondContact O-CE1 3.25Å; G68-K107 CarbonylContact C-O 3.58Å; G68-K107 WeakPolarHBondContact CA-O 3.4Å; G68-S116 WeakPolarHBondContact O-CB 3.33Å; G68-S116 PolarHBondContact O-OG 2.95Å; G68-L117 PolarHBondContact N-O 2.87Å
69	T	93.7	Very high	89	Confident	67 Å²	67	37.5 Å²	37.5	41%	0.411	19%	0.194	S	C	.	.	S	Bend	trans	-150.6	116.6	-173.2	-62.9	0	0	0	0	108.7	V71 K107 S109	T69-V71 PolarHBondContact N-O 3.48Å; T69-V71 PolarHBondContact O-N 3.49Å; T69-K107 WeakPolarHBondContact CB-O 3.46Å; T69-K107 PolarHBondContact N-O 3.34Å; T69-K107 PolarHBondContact OG1-O 3.09Å; T69-S109 WeakPolarHBondContact CG2-OG 3.36Å; T69-S109 WeakPolarHBondContact OG1-CB 3.44Å; T69-S109 PolarHBondContact OG1-OG 3.18Å
70	G	90.6	Very high	89.2	Confident	40 Å²	40	37.7 Å²	37.7	41%	0.412	19%	0.194	S	C	.	.	S	Bend	trans	75.4	-54	-175.8	0	0	0	0	0	112.8
71	V	93.8	Very high	89.6	Confident	35 Å²	35	33.3 Å²	33.3	21%	0.212	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.9	159.6	-173	0	0	0	0	108.4	G68 T69 M100 Y106 S125 V127	G68-V71 CarbonylContact C-O 3.54Å; T69-V71 PolarHBondContact N-O 3.48Å; T69-V71 PolarHBondContact O-N 3.49Å; V71-M100 HydrophobicContact CG1-SD 4.11Å; V71-Y106 HydrophobicContact CG1-CE1 4.41Å; V71-S125 VanDerWaalsContact CG1-CB 3.5Å; V71-V127 HydrophobicContact CB-CG1 4.36Å; V71-V127 HydrophobicContact CG1-CG1 4.43Å; V71-V127 HydrophobicContact CG2-CG1 3.83Å
72	F	95.5	Very high	90.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	-175	-58	-84.3	0	0	0	111	V66 Y67 G68 A81 H84 S125 F126 V128	V66-F72 HydrophobicContact CG1-CD1 3.46Å; V66-F72 VanDerWaalsContact CG1-CD1 3.46Å; V66-F72 HydrophobicContact CG1-CE1 3.62Å; Y67-F72 CarbonylContact O-C 3.5Å; Y67-F72 WeakPolarHBondContact O-CA 3.05Å; G68-F72 WeakPolarHBondContact O-CE1 3.25Å; F72-A81 HydrophobicContact CB-CB 4.44Å; F72-A81 HydrophobicContact CD1-CB 3.99Å; F72-A81 HydrophobicContact CD2-CB 3.89Å; F72-A81 HydrophobicContact CE1-CB 4.15Å; F72-A81 HydrophobicContact CE2-CB 4.06Å; F72-A81 HydrophobicContact CG-CB 3.84Å; F72-A81 HydrophobicContact CZ-CB 4.17Å; F72-H84 HydrophobicContact CE1-CB 4.36Å; F72-H84 AromaticContact CE1-ND1 3.55Å; F72-H84 HydrophobicContact CZ-CB 4.34Å; F72-H84 AromaticContact CZ-ND1 3.54Å; F72-S125 CarbonylContact O-C 3.54Å; F72-S125 WeakPolarHBondContact O-CA 3.48Å; F72-S125 WeakPolarHBondContact O-CB 3.37Å; F72-F126 HydrophobicContact CB-CD1 4.07Å; F72-F126 HydrophobicContact CB-CE1 3.72Å; F72-F126 HydrophobicContact CB-CE2 4.29Å; F72-F126 HydrophobicContact CB-CZ 3.85Å; F72-F126 PolarHBondContact N-O 3.05Å; F72-F126 PolarHBondContact O-N 2.97Å; F72-V128 HydrophobicContact CD2-CG2 4.25Å; F72-V128 HydrophobicContact CE2-CG2 3.79Å
73	A	90.1	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.3	175.7	0	0	0	0	0	110.8	Y67 I75 S76 Y106 L119 W122 F126	Y67-A73 PolarHBondContact O-N 2.86Å; A73-I75 HydrophobicContact CB-CG2 4.24Å; A73-I75 PolarHBondContact O-N 3.38Å; A73-S76 VanDerWaalsContact O-CB 3.26Å; A73-S76 WeakPolarHBondContact O-CB 3.4Å; A73-S76 PolarHBondContact O-N 3.46Å; A73-S76 PolarHBondContact O-OG 3.43Å; A73-Y106 HydrophobicContact CB-CD1 4.09Å; A73-Y106 HydrophobicContact CB-CD2 4.16Å; A73-Y106 HydrophobicContact CB-CE1 3.82Å; A73-Y106 HydrophobicContact CB-CE2 3.91Å; A73-Y106 HydrophobicContact CB-CG 4.25Å; A73-L119 HydrophobicContact CB-CD2 3.54Å; A73-W122 HydrophobicContact CB-CB 4.06Å; A73-W122 HydrophobicContact CB-CG 3.97Å; A73-F126 WeakPolarHBondContact O-CE1 3.47Å
74	S	89.3	Confident	92.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-33.6	-172.3	67.3	0	0	0	0	115.3	A43 G44 S76 W122 E124 D783	A43-S74 PolarHBondContact N-O 3.33Å; G44-S74 PolarHBondContact N-O 3.11Å; S74-S76 PolarHBondContact O-N 3.12Å; S74-W122 PolarHBondContact OG-NE1 2.91Å; S74-E124 WeakPolarHBondContact CB-OE2 3.49Å; S74-E124 PolarHBondContact N-O 2.94Å; S74-D783 PolarHBondContact OG-OD1 2.82Å
75	I	85.3	Confident	92.9	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.051	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-8.1	178.2	-169.8	158.5	0	0	0	114.2	R42 Y67 A73 L119 W122 L755	R42-I75 WeakPolarHBondContact CD-O 3.42Å; R42-I75 WeakPolarHBondContact CG-O 3.35Å; Y67-I75 HydrophobicContact CD2-CG2 3.96Å; Y67-I75 HydrophobicContact CE2-CG2 4.43Å; A73-I75 HydrophobicContact CB-CG2 4.24Å; A73-I75 PolarHBondContact O-N 3.38Å; I75-L119 HydrophobicContact CG2-CD2 4.34Å; I75-W122 HydrophobicContact CB-CH2 4.45Å; I75-W122 HydrophobicContact CB-CZ2 3.62Å; I75-W122 HydrophobicContact CD1-CH2 3.62Å; I75-W122 HydrophobicContact CD1-CZ2 3.52Å; I75-W122 HydrophobicContact CG1-CZ2 4.15Å; I75-W122 HydrophobicContact CG2-CD2 4.32Å; I75-W122 HydrophobicContact CG2-CH2 4.3Å; I75-W122 HydrophobicContact CG2-CZ2 3.7Å; I75-L755 HydrophobicContact CD1-CD1 3.82Å
76	S	92.1	Very high	93.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-76.6	143.4	177.2	-49.6	0	0	0	0	112.3	R42 A43 Y67 A73 S74 I78	R42-S76 WeakPolarHBondContact CA-O 3.39Å; A43-S76 PolarHBondContact N-O 3.3Å; Y67-S76 PolarHBondContact N-OG 3.41Å; Y67-S76 PolarHBondContact O-OG 2.79Å; A73-S76 VanDerWaalsContact O-CB 3.26Å; A73-S76 WeakPolarHBondContact O-CB 3.4Å; A73-S76 PolarHBondContact O-N 3.46Å; A73-S76 PolarHBondContact O-OG 3.43Å; S74-S76 PolarHBondContact O-N 3.12Å; S76-I78 PolarHBondContact O-N 2.88Å
77	S	94.4	Very high	93.4	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.021	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-55.2	128.2	166.2	156	0	0	0	0	110.9	C39 Q65 C79 N80 A81	C39-S77 WeakPolarHBondContact O-CB 3.41Å; C39-S77 PolarHBondContact O-OG 3.34Å; Q65-S77 PolarHBondContact O-N 3.41Å; Q65-S77 VanDerWaalsContact O-N 3.15Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.25Å; S77-C79 PolarHBondContact OG-N 3.21Å; S77-N80 PolarHBondContact OG-N 3.43Å; S77-N80 VanDerWaalsContact OG-N 3.07Å; S77-A81 VanDerWaalsContact O-CB 3.25Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.08Å
78	I	95.3	Very high	93.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-46.7	177.4	-65.6	165.7	0	0	0	110.3	I37 V41 A43 I46 F51 S76 A81 A82 V95 V97	I37-I78 HydrophobicContact CD1-CB 3.89Å; I37-I78 HydrophobicContact CD1-CD1 4.03Å; I37-I78 HydrophobicContact CD1-CG2 3.69Å; V41-I78 HydrophobicContact CG1-CD1 3.93Å; V41-I78 WeakPolarHBondContact O-CG1 3.49Å; V41-I78 PolarHBondContact O-N 3.13Å; A43-I78 HydrophobicContact CB-CG1 4.02Å; I46-I78 HydrophobicContact CD1-CD1 3.77Å; F51-I78 HydrophobicContact CE2-CD1 4.11Å; F51-I78 HydrophobicContact CZ-CD1 3.87Å; S76-I78 PolarHBondContact O-N 2.88Å; I78-A81 PolarHBondContact O-N 3.29Å; I78-A82 WeakPolarHBondContact O-CB 3.3Å; I78-A82 PolarHBondContact O-N 2.99Å; I78-V95 HydrophobicContact CG2-CG1 4.01Å; I78-V97 HydrophobicContact CG2-CG2 3.56Å
79	C	95.4	Very high	93.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.1	-41.2	-174.1	-62.8	0	0	0	0	112.2	I37 C55 C59 S77 A81 A82 I83	I37-C79 VanDerWaalsContact CD1-SG 3.55Å; C55-C79 HydrophobicContact CB-CB 3.81Å; C55-C79 WeakPolarHBondContact CB-SG 3.26Å; C55-C79 WeakPolarHBondContact SG-CA 3.38Å; C55-C79 WeakPolarHBondContact SG-CB 3.24Å; C55-C79 CovalentContact SG-SG 2.04Å; C55-C79 PolarHBondContact SG-SG 2.62Å; C59-C79 HydrophobicContact CB-CB 4.03Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.25Å; S77-C79 PolarHBondContact OG-N 3.21Å; C79-A81 VanDerWaalsContact C-N 3.35Å; C79-A82 PolarHBondContact O-N 2.96Å; C79-I83 WeakPolarHBondContact O-CG1 3.41Å; C79-I83 PolarHBondContact O-N 2.95Å
80	N	94.6	Very high	93.3	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-71.8	-30	176.3	-73.3	-5.2	0	0	0	112	C59 Q64 V66 S77 H84 V114	C59-N80 WeakPolarHBondContact CB-OD1 3.44Å; C59-N80 PolarHBondContact O-ND2 2.74Å; C59-N80 PolarHBondContact O-OD1 2.87Å; C59-N80 VanDerWaalsContact O-OD1 3.06Å; Q64-N80 PolarHBondContact O-ND2 3.07Å; V66-N80 HydrophobicContact CG2-CB 3.38Å; S77-N80 PolarHBondContact OG-N 3.43Å; S77-N80 VanDerWaalsContact OG-N 3.07Å; N80-H84 WeakPolarHBondContact O-CB 3.33Å; N80-H84 PolarHBondContact O-N 3.1Å; N80-V114 HydrophobicContact CB-CG1 4.33Å
81	A	95.9	Very high	93.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67	-38.8	168.6	0	0	0	0	0	112.6	V66 F72 S77 I78 C79 H84 S85 F126	V66-A81 HydrophobicContact CG1-CB 4.12Å; F72-A81 HydrophobicContact CB-CB 4.44Å; F72-A81 HydrophobicContact CD1-CB 3.99Å; F72-A81 HydrophobicContact CD2-CB 3.89Å; F72-A81 HydrophobicContact CE1-CB 4.15Å; F72-A81 HydrophobicContact CE2-CB 4.06Å; F72-A81 HydrophobicContact CG-CB 3.84Å; F72-A81 HydrophobicContact CZ-CB 4.17Å; S77-A81 VanDerWaalsContact O-CB 3.25Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.08Å; I78-A81 PolarHBondContact O-N 3.29Å; C79-A81 VanDerWaalsContact C-N 3.35Å; A81-H84 PolarHBondContact O-N 2.63Å; A81-S85 WeakPolarHBondContact O-CB 3.5Å; A81-S85 PolarHBondContact O-N 2.85Å; A81-S85 PolarHBondContact O-OG 2.97Å; A81-F126 HydrophobicContact CB-CE2 3.8Å; A81-F126 HydrophobicContact CB-CZ 3.73Å
82	A	96	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-34.6	175.9	0	0	0	0	0	112.8	I78 C79 S85 G86 V87 I88 V95 V128	I78-A82 WeakPolarHBondContact O-CB 3.3Å; I78-A82 PolarHBondContact O-N 2.99Å; C79-A82 PolarHBondContact O-N 2.96Å; A82-S85 WeakPolarHBondContact CA-OG 3.39Å; A82-S85 PolarHBondContact O-OG 3.22Å; A82-G86 PolarHBondContact O-N 3.5Å; A82-V87 PolarHBondContact O-N 3.22Å; A82-I88 HydrophobicContact CB-CD1 3.76Å; A82-I88 HydrophobicContact CB-CG1 3.72Å; A82-I88 PolarHBondContact O-N 2.84Å; A82-I88 VanDerWaalsContact O-N 3.14Å; A82-V95 HydrophobicContact CB-CB 4.29Å; A82-V95 HydrophobicContact CB-CG2 4.01Å; A82-V128 HydrophobicContact CB-CB 4.49Å; A82-V128 HydrophobicContact CB-CG1 4.35Å
83	I	95.1	Very high	93.1	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-70.4	-48.7	170.3	-64.3	167.2	0	0	0	110.2	C59 C79 S85 G86 I88 N112 V114	C59-I83 HydrophobicContact CB-CD1 4.11Å; C79-I83 WeakPolarHBondContact O-CG1 3.41Å; C79-I83 PolarHBondContact O-N 2.95Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.2Å; I83-G86 PolarHBondContact O-N 2.84Å; I83-I88 HydrophobicContact CG1-CD1 4.13Å; I83-I88 HydrophobicContact CG1-CG1 3.81Å; I83-N112 VanDerWaalsContact O-CB 3.23Å; I83-N112 WeakPolarHBondContact O-CB 3.22Å; I83-N112 PolarHBondContact O-ND2 3.24Å; I83-V114 HydrophobicContact CB-CG2 4.08Å; I83-V114 HydrophobicContact CG2-CG2 3.6Å
84	H	95.8	Very high	93.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-53.3	-47.5	179.8	-179.7	-81.1	0	0	0	112.4	F72 N80 A81 G86 S109 S111 N112 V114 S116	F72-H84 HydrophobicContact CE1-CB 4.36Å; F72-H84 AromaticContact CE1-ND1 3.55Å; F72-H84 HydrophobicContact CZ-CB 4.34Å; F72-H84 AromaticContact CZ-ND1 3.54Å; N80-H84 WeakPolarHBondContact O-CB 3.33Å; N80-H84 PolarHBondContact O-N 3.1Å; A81-H84 PolarHBondContact O-N 2.63Å; H84-G86 PolarHBondContact O-N 3.32Å; H84-S109 PolarHBondContact CE1-OG 3.41Å; H84-S109 PolarHBondContact NE2-O 2.93Å; H84-S109 PolarHBondContact NE2-OG 3.16Å; H84-S111 WeakPolarHBondContact O-CB 3.46Å; H84-S111 PolarHBondContact O-OG 2.69Å; H84-N112 PolarHBondContact O-ND2 3.38Å; H84-V114 HydrophobicContact CB-CB 4.05Å; H84-V114 HydrophobicContact CB-CG1 4.08Å; H84-V114 PolarHBondContact CD2-O 3.4Å; H84-S116 WeakPolarHBondContact NE2-CB 3.28Å; H84-S116 PolarHBondContact NE2-OG 2.85Å
85	S	94.3	Very high	93.5	Very high	42 Å²	42	23.7 Å²	23.7	29%	0.294	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.6	176.9	54.8	0	0	0	0	115.1	A81 A82 I83 V87 V128	A81-S85 WeakPolarHBondContact O-CB 3.5Å; A81-S85 PolarHBondContact O-N 2.85Å; A81-S85 PolarHBondContact O-OG 2.97Å; A82-S85 WeakPolarHBondContact CA-OG 3.39Å; A82-S85 PolarHBondContact O-OG 3.22Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 3.2Å; S85-V87 VanDerWaalsContact C-N 3.26Å; S85-V87 PolarHBondContact O-N 2.92Å; S85-V87 WeakPolarHBondContact OG-CG2 3.43Å; S85-V128 WeakPolarHBondContact OG-CG2 3.31Å
86	G	93.4	Very high	93.9	Very high	44 Å²	44	23.3 Å²	23.3	45%	0.454	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	15.2	-178	0	0	0	0	0	114.1	A82 I83 H84 N112	A82-G86 PolarHBondContact O-N 3.5Å; I83-G86 PolarHBondContact O-N 2.84Å; H84-G86 PolarHBondContact O-N 3.32Å; G86-N112 VanDerWaalsContact CA-ND2 3.31Å; G86-N112 WeakPolarHBondContact CA-ND2 3.45Å; G86-N112 PolarHBondContact N-ND2 3.34Å; G86-N112 VanDerWaalsContact N-ND2 3.17Å
87	V	93.9	Very high	94	Very high	29 Å²	29	23.3 Å²	23.3	18%	0.176	16%	0.159	C	C	.	.	S	Bend	trans	-72.9	-32.1	178.1	169	0	0	0	0	111.5	A82 S85 V95 V128 S129 V130	A82-V87 PolarHBondContact O-N 3.22Å; S85-V87 VanDerWaalsContact C-N 3.26Å; S85-V87 PolarHBondContact O-N 2.92Å; S85-V87 WeakPolarHBondContact OG-CG2 3.43Å; V87-V95 HydrophobicContact CG1-CG2 4.17Å; V87-V128 HydrophobicContact CG2-CG2 4.29Å; V87-S129 WeakPolarHBondContact CG1-O 3.5Å; V87-V130 HydrophobicContact CG1-CG2 4.39Å
88	I	93.6	Very high	93.9	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.087	18%	0.182	C	C	.	.	S	Bend	trans	-134.6	169.4	168.3	64.7	177.7	0	0	0	109.8	C55 A82 I83	C55-I88 HydrophobicContact CB-CD1 3.62Å; A82-I88 HydrophobicContact CB-CD1 3.76Å; A82-I88 HydrophobicContact CB-CG1 3.72Å; A82-I88 PolarHBondContact O-N 2.84Å; A82-I88 VanDerWaalsContact O-N 3.14Å; I83-I88 HydrophobicContact CG1-CD1 4.13Å; I83-I88 HydrophobicContact CG1-CG1 3.81Å
89	T	93.1	Very high	93.6	Very high	94 Å²	94	31 Å²	31	58%	0.577	19%	0.188	S	C	*	.	B	Isolated β-bridge	trans	-104.6	179.4	170.6	68.9	0	0	0	0	110.5	A91 G92	T89-A91 PolarHBondContact O-N 3.19Å; T89-A91 PolarHBondContact OG1-N 3.11Å; T89-G92 PolarHBondContact O-N 2.91Å
90	N	92.8	Very high	93.3	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.23	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-0.8	173.5	-159.7	46	0	0	0	113.9	A57 H58 C59 K60 E61 G92	A57-N90 CarbonylContact C-O 3.56Å; A57-N90 VanDerWaalsContact CA-O 3.26Å; A57-N90 WeakPolarHBondContact CA-O 2.84Å; A57-N90 WeakPolarHBondContact CB-O 3.48Å; H58-N90 VanDerWaalsContact C-OD1 3.3Å; H58-N90 WeakPolarHBondContact CA-OD1 3.26Å; H58-N90 PolarHBondContact N-O 3.26Å; C59-N90 PolarHBondContact N-OD1 3.13Å; K60-N90 HydrophobicContact CB-CB 4.48Å; K60-N90 WeakPolarHBondContact CB-OD1 3.29Å; K60-N90 PolarHBondContact N-OD1 3.17Å; E61-N90 PolarHBondContact OE1-ND2 2.87Å; N90-G92 PolarHBondContact O-N 2.83Å
91	A	92.5	Very high	92.7	Very high	76 Å²	76	38.2 Å²	38.2	63%	0.628	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-0	167.6	0	0	0	0	0	113.1	T89	T89-A91 PolarHBondContact O-N 3.19Å; T89-A91 PolarHBondContact OG1-N 3.11Å
92	G	90.7	Very high	92.1	Very high	13 Å²	13	39.6 Å²	39.6	13%	0.134	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	79.5	-168.9	-174.8	0	0	0	0	0	112.6	C55 P56 T89 N90	C55-G92 VanDerWaalsContact O-CA 3.3Å; C55-G92 WeakPolarHBondContact O-CA 3.48Å; P56-G92 WeakPolarHBondContact O-CA 3.2Å; T89-G92 PolarHBondContact O-N 2.91Å; N90-G92 PolarHBondContact O-N 2.83Å
93	G	92.6	Very high	91.4	Very high	27 Å²	27	43.2 Å²	43.2	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.4	178.7	178.4	0	0	0	0	0	114.4	K54 C55	K54-G93 WeakPolarHBondContact CA-O 3.48Å; C55-G93 PolarHBondContact N-O 3.12Å; C55-G93 PolarHBondContact O-N 3.45Å
94	K	93.6	Very high	90.3	Very high	90 Å²	90	48.4 Å²	48.4	39%	0.391	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.2	177.4	-65.3	-171.7	174	-166.7	0	111.2	V34 A53 K54 G131	V34-K94 HydrophobicContact CB-CD 4.21Å; V34-K94 HydrophobicContact CG1-CD 4.11Å; V34-K94 HydrophobicContact CG1-CG 4.25Å; V34-K94 HydrophobicContact CG2-CD 4.04Å; A53-K94 CarbonylContact O-C 3.5Å; A53-K94 WeakPolarHBondContact O-CA 3.34Å; K54-K94 HydrophobicContact CB-CG 4.34Å; K54-K94 HydrophobicContact CG-CG 4.45Å; K94-G131 VanDerWaalsContact O-CA 3.27Å; K94-G131 WeakPolarHBondContact O-CA 3.22Å; K94-G131 PolarHBondContact O-N 2.9Å
95	V	94.1	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.7	177	56.7	0	0	0	0	109.8	I52 A53 I78 A82 V87 V97 V128	I52-V95 WeakPolarHBondContact CA-O 3.45Å; A53-V95 HydrophobicContact CB-CG1 4.46Å; A53-V95 PolarHBondContact N-O 2.9Å; A53-V95 PolarHBondContact O-N 3.01Å; I78-V95 HydrophobicContact CG2-CG1 4.01Å; A82-V95 HydrophobicContact CB-CB 4.29Å; A82-V95 HydrophobicContact CB-CG2 4.01Å; V87-V95 HydrophobicContact CG1-CG2 4.17Å; V95-V97 HydrophobicContact CG1-CG2 4.35Å; V95-V97 HydrophobicContact CG2-CG2 4.22Å; V95-V128 HydrophobicContact CG2-CB 3.76Å; V95-V128 HydrophobicContact CG2-CG1 3.68Å
96	I	92.7	Very high	89.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.7	163.4	-72.7	159.7	0	0	0	107.5	E50 F51 I52 S129 K132 Y139	E50-I96 HydrophobicContact CG-CG2 4Å; F51-I96 CarbonylContact O-C 2.95Å; F51-I96 WeakPolarHBondContact O-CA 3.44Å; I52-I96 HydrophobicContact CB-CG1 3.99Å; I52-I96 HydrophobicContact CD1-CD1 4.39Å; I52-I96 HydrophobicContact CD1-CG1 3.96Å; I52-I96 HydrophobicContact CG1-CG1 3.85Å; I96-S129 WeakPolarHBondContact CB-OG 3.13Å; I96-S129 PolarHBondContact N-O 2.77Å; I96-S129 PolarHBondContact O-N 3.3Å; I96-S129 PolarHBondContact O-OG 2.92Å; I96-S129 VanDerWaalsContact O-OG 3.12Å; I96-K132 WeakPolarHBondContact CD1-O 3.05Å; I96-Y139 HydrophobicContact CD1-CE2 4.12Å; I96-Y139 HydrophobicContact CG2-CE1 4.45Å
97	V	94.1	Very high	89.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.9	176.2	-178.4	0	0	0	0	108.1	E50 F51 I78 V95 F126 V128	E50-V97 WeakPolarHBondContact CA-O 3.47Å; E50-V97 WeakPolarHBondContact CG-O 3.31Å; F51-V97 HydrophobicContact CD1-CB 4.11Å; F51-V97 HydrophobicContact CD1-CG1 4.4Å; F51-V97 HydrophobicContact CD2-CB 4.17Å; F51-V97 HydrophobicContact CD2-CG2 4.33Å; F51-V97 HydrophobicContact CE1-CB 3.71Å; F51-V97 HydrophobicContact CE1-CG1 3.63Å; F51-V97 HydrophobicContact CE1-CG2 4.46Å; F51-V97 HydrophobicContact CE2-CB 3.75Å; F51-V97 HydrophobicContact CE2-CG1 4.32Å; F51-V97 HydrophobicContact CE2-CG2 3.68Å; F51-V97 HydrophobicContact CG-CB 4.35Å; F51-V97 HydrophobicContact CZ-CB 3.52Å; F51-V97 HydrophobicContact CZ-CG1 3.59Å; F51-V97 HydrophobicContact CZ-CG2 3.77Å; F51-V97 PolarHBondContact N-O 2.58Å; F51-V97 PolarHBondContact O-N 3.38Å; I78-V97 HydrophobicContact CG2-CG2 3.56Å; V95-V97 HydrophobicContact CG1-CG2 4.35Å; V95-V97 HydrophobicContact CG2-CG2 4.22Å; V97-F126 HydrophobicContact CG1-CB 4.06Å; V97-F126 HydrophobicContact CG1-CD2 3.87Å; V97-F126 HydrophobicContact CG1-CG 4.27Å; V97-V128 HydrophobicContact CG2-CG1 4.39Å
98	R	92.9	Very high	89.2	Confident	136 Å²	136	56.5 Å²	56.5	51%	0.513	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.9	171.9	-171.8	-176.7	-179.7	-165.6	-0.1	110	E50 F126 V127	E50-R98 HydrophobicContact CB-CG 4.24Å; E50-R98 HydrophobicContact CG-CB 3.94Å; E50-R98 HydrophobicContact CG-CG 4.06Å; E50-R98 WeakPolarHBondContact OE2-CD 3.47Å; E50-R98 IonicContact OE2-NE 3.03Å; R98-F126 CarbonylContact O-C 3.58Å; R98-F126 WeakPolarHBondContact O-CA 3.09Å; R98-F126 WeakPolarHBondContact O-CB 3.37Å; R98-V127 HydrophobicContact CB-CG2 3.94Å; R98-V127 PolarHBondContact N-O 3.01Å; R98-V127 PolarHBondContact O-N 2.8Å
99	K	89.2	Confident	89.3	Confident	27 Å²	27	57.6 Å²	57.6	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	154.9	171.6	-69.1	-178.3	154.5	-149.8	0	111	A43 G44 I46 P49 E124 S125	A43-K99 WeakPolarHBondContact O-CE 3.35Å; A43-K99 PolarHBondContact O-NZ 2.81Å; G44-K99 PolarHBondContact O-NZ 3.41Å; I46-K99 WeakPolarHBondContact O-CE 3.39Å; I46-K99 PolarHBondContact O-NZ 2.74Å; P49-K99 PolarHBondContact O-N 3.27Å; K99-E124 VanDerWaalsContact CD-OE1 3.28Å; K99-E124 WeakPolarHBondContact CD-OE1 3.5Å; K99-E124 WeakPolarHBondContact CE-OE1 3.32Å; K99-E124 WeakPolarHBondContact CE-OE2 3.49Å; K99-E124 IonicContact NZ-OE1 3.56Å; K99-E124 PolarHBondContact NZ-OE1 3.28Å; K99-E124 IonicContact NZ-OE2 3.52Å; K99-E124 PolarHBondContact NZ-OE2 3Å; K99-S125 CarbonylContact C-O 3.44Å; K99-S125 WeakPolarHBondContact CA-O 3.45Å
100	M	89.3	Confident	89.3	Confident	74 Å²	74	58.7 Å²	58.7	37%	0.365	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	172.7	177.5	59.9	177	58.2	0	0	109.8	V71 S125 V127	V71-M100 HydrophobicContact CG1-SD 4.11Å; M100-S125 PolarHBondContact N-O 3.38Å; M100-S125 PolarHBondContact O-N 2.97Å; M100-S125 VanDerWaalsContact O-O 3.08Å; M100-V127 HydrophobicContact CE-CB 4.37Å; M100-V127 HydrophobicContact CE-CG1 3.63Å; M100-V127 HydrophobicContact CE-CG2 3.85Å; M100-V127 HydrophobicContact SD-CG1 4.25Å
101	A	80.8	Confident	89.3	Confident	81 Å²	81	58.5 Å²	58.5	67%	0.669	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.8	154.5	175.1	0	0	0	0	0	112.8	S125	A101-S125 WeakPolarHBondContact O-CB 3.29Å; A101-S125 PolarHBondContact O-OG 2.89Å
102	G	83.2	Confident	89.3	Confident	29 Å²	29	59.5 Å²	59.5	30%	0.299	33%	0.334	S	S	.	.			trans	-59.5	160.6	174.4	0	0	0	0	0	114.5	W122 R123 S125	G102-W122 WeakPolarHBondContact CA-O 3.3Å; G102-R123 VanDerWaalsContact CA-C 3.49Å; G102-R123 VanDerWaalsContact CA-O 3.28Å; G102-R123 WeakPolarHBondContact CA-O 3.35Å; G102-R123 PolarHBondContact N-O 3.05Å; G102-S125 WeakPolarHBondContact CA-OG 3.41Å
103	Q	80.9	Confident	89.1	Confident	77 Å²	77	60.8 Å²	60.8	36%	0.36	35%	0.347	S	S	.	.			trans	-114.7	148.4	170	-63.2	-167.8	-11.4	0	0	110.4	V105 Y106 K121 W122	Q103-V105 VanDerWaalsContact C-N 3.31Å; Q103-V105 PolarHBondContact O-N 2.95Å; Q103-Y106 HydrophobicContact CB-CE1 4.02Å; Q103-Y106 HydrophobicContact CB-CE2 4.01Å; Q103-Y106 HydrophobicContact CG-CE1 4.27Å; Q103-Y106 PolarHBondContact N-OH 2.97Å; Q103-Y106 VanDerWaalsContact O-CE2 3.27Å; Q103-Y106 WeakPolarHBondContact O-CE2 3.32Å; Q103-K121 WeakPolarHBondContact O-CA 3.29Å; Q103-W122 PolarHBondContact O-N 3.15Å
104	N	73.8	Confident	89.1	Confident	114 Å²	114	60.1 Å²	60.1	61%	0.61	34%	0.338	S	S	*	.	S	Bend	trans	-73	-21.3	178.8	-70.8	-17.7	0	0	0	113.5	P120 K121	N104-P120 CarbonylContact O-C 3.57Å; N104-K121 WeakPolarHBondContact O-CA 3.38Å; N104-K121 PolarHBondContact O-N 3.1Å; N104-K121 WeakPolarHBondContact OD1-CD 3.01Å; N104-K121 WeakPolarHBondContact OD1-CE 3.07Å
105	V	82.9	Confident	89.1	Confident	94 Å²	94	65 Å²	65	57%	0.57	35%	0.353	S	S	*	.			trans	-149.8	125.6	174.8	-178.6	0	0	0	0	109.8	Q103	Q103-V105 VanDerWaalsContact C-N 3.31Å; Q103-V105 PolarHBondContact O-N 2.95Å
106	Y	90.1	Very high	89.1	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-102.6	127.3	169.3	-60.1	-97.7	0	0	0	109.7	V71 A73 Q103 S118 L119 P120 W122 E124 S125	V71-Y106 HydrophobicContact CG1-CE1 4.41Å; A73-Y106 HydrophobicContact CB-CD1 4.09Å; A73-Y106 HydrophobicContact CB-CD2 4.16Å; A73-Y106 HydrophobicContact CB-CE1 3.82Å; A73-Y106 HydrophobicContact CB-CE2 3.91Å; A73-Y106 HydrophobicContact CB-CG 4.25Å; Q103-Y106 HydrophobicContact CB-CE1 4.02Å; Q103-Y106 HydrophobicContact CB-CE2 4.01Å; Q103-Y106 HydrophobicContact CG-CE1 4.27Å; Q103-Y106 PolarHBondContact N-OH 2.97Å; Q103-Y106 VanDerWaalsContact O-CE2 3.27Å; Q103-Y106 WeakPolarHBondContact O-CE2 3.32Å; Y106-S118 CarbonylContact O-C 3.52Å; Y106-S118 WeakPolarHBondContact O-CA 3.07Å; Y106-S118 WeakPolarHBondContact O-CB 3.37Å; Y106-L119 HydrophobicContact CD2-CB 4.06Å; Y106-L119 HydrophobicContact CD2-CD2 4.36Å; Y106-L119 HydrophobicContact CG-CB 4.41Å; Y106-L119 PolarHBondContact N-O 2.92Å; Y106-L119 PolarHBondContact O-N 2.99Å; Y106-P120 WeakPolarHBondContact CD2-O 3.37Å; Y106-W122 HydrophobicContact CD2-CB 4.4Å; Y106-W122 HydrophobicContact CE2-CB 3.47Å; Y106-W122 VanDerWaalsContact CE2-CB 3.47Å; Y106-E124 PolarHBondContact OH-O 3.48Å; Y106-S125 PolarHBondContact OH-OG 3.45Å
107	K	89.8	Confident	89	Confident	163 Å²	163	68 Å²	68	71%	0.709	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-91.9	118.4	178.2	-64.4	-177.3	-178.7	179.9	0	110.7	G68 T69	G68-K107 CarbonylContact C-O 3.58Å; G68-K107 WeakPolarHBondContact CA-O 3.4Å; T69-K107 WeakPolarHBondContact CB-O 3.46Å; T69-K107 PolarHBondContact N-O 3.34Å; T69-K107 PolarHBondContact OG1-O 3.09Å
108	G	91	Very high	88.6	Confident	27 Å²	27	72 Å²	72	28%	0.278	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-73.2	151.7	172.5	0	0	0	0	0	112.6	S116 L117 S118	G108-S116 WeakPolarHBondContact CA-OG 3.3Å; G108-L117 WeakPolarHBondContact CA-O 3.2Å; G108-S118 PolarHBondContact N-OG 3.35Å
109	S	94.9	Very high	88	Confident	41 Å²	41	65.8 Å²	65.8	29%	0.287	37%	0.374	S	S	.	.			trans	-155.1	163.9	174.2	65.2	0	0	0	0	111.1	T69 H84 S116	T69-S109 WeakPolarHBondContact CG2-OG 3.36Å; T69-S109 WeakPolarHBondContact OG1-CB 3.44Å; T69-S109 PolarHBondContact OG1-OG 3.18Å; H84-S109 PolarHBondContact CE1-OG 3.41Å; H84-S109 PolarHBondContact NE2-O 2.93Å; H84-S109 PolarHBondContact NE2-OG 3.16Å; S109-S116 PolarHBondContact N-O 3.3Å; S109-S116 PolarHBondContact N-OG 3.43Å; S109-S116 PolarHBondContact O-N 2.82Å; S109-S116 PolarHBondContact O-OG 3.2Å; S109-S116 VanDerWaalsContact O-OG 3.09Å
110	N	94.6	Very high	87.3	Confident	117 Å²	117	67.6 Å²	67.6	63%	0.626	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	114	171	-173.5	41.6	0	0	0	109.3	V114	N110-V114 PolarHBondContact OD1-O 3.18Å
111	S	91.6	Very high	86.9	Confident	39 Å²	39	68.8 Å²	68.8	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137	-174	-177.9	0	0	0	0	110.5	H84 G113 V114	H84-S111 WeakPolarHBondContact O-CB 3.46Å; H84-S111 PolarHBondContact O-OG 2.69Å; S111-G113 PolarHBondContact O-N 3.36Å; S111-V114 PolarHBondContact N-O 2.88Å; S111-V114 PolarHBondContact O-N 2.79Å; S111-V114 VanDerWaalsContact O-O 3.07Å
112	N	92.3	Very high	86.9	Confident	96 Å²	96	65.5 Å²	65.5	51%	0.513	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	23.9	-173.3	-62.7	-65	0	0	0	114.2	I83 H84 G86 V114	I83-N112 VanDerWaalsContact O-CB 3.23Å; I83-N112 WeakPolarHBondContact O-CB 3.22Å; I83-N112 PolarHBondContact O-ND2 3.24Å; H84-N112 PolarHBondContact O-ND2 3.38Å; G86-N112 VanDerWaalsContact CA-ND2 3.31Å; G86-N112 WeakPolarHBondContact CA-ND2 3.45Å; G86-N112 PolarHBondContact N-ND2 3.34Å; G86-N112 VanDerWaalsContact N-ND2 3.17Å; N112-V114 VanDerWaalsContact C-N 3.29Å; N112-V114 PolarHBondContact O-N 2.68Å
113	G	88	Confident	86.4	Confident	40 Å²	40	67 Å²	67	41%	0.412	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	15.5	-175.7	0	0	0	0	0	115.1	K60 S111	K60-G113 WeakPolarHBondContact CE-O 3.43Å; K60-G113 PolarHBondContact NZ-O 2.72Å; S111-G113 PolarHBondContact O-N 3.36Å
114	V	91.7	Very high	86.6	Confident	13 Å²	13	65.2 Å²	65.2	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.9	160.6	175.7	0	0	0	0	107.6	K60 V66 N80 I83 H84 N110 S111 N112	K60-V114 HydrophobicContact CG-CG2 4.35Å; V66-V114 HydrophobicContact CG2-CG1 4.25Å; N80-V114 HydrophobicContact CB-CG1 4.33Å; I83-V114 HydrophobicContact CB-CG2 4.08Å; I83-V114 HydrophobicContact CG2-CG2 3.6Å; H84-V114 HydrophobicContact CB-CB 4.05Å; H84-V114 HydrophobicContact CB-CG1 4.08Å; H84-V114 PolarHBondContact CD2-O 3.4Å; N110-V114 PolarHBondContact OD1-O 3.18Å; S111-V114 PolarHBondContact N-O 2.88Å; S111-V114 PolarHBondContact O-N 2.79Å; S111-V114 VanDerWaalsContact O-O 3.07Å; N112-V114 VanDerWaalsContact C-N 3.29Å; N112-V114 PolarHBondContact O-N 2.68Å
115	R	92.5	Very high	87.5	Confident	192 Å²	192	59.8 Å²	59.8	73%	0.725	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.1	174.2	-179	178.6	178.4	175.4	-0.6	109.4
116	S	94.3	Very high	88.1	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.028	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-84.5	154.5	165.8	71.6	0	0	0	0	111.2	V66 G68 H84 G108 S109	V66-S116 CarbonylContact O-C 3.46Å; V66-S116 WeakPolarHBondContact O-CA 3.36Å; V66-S116 WeakPolarHBondContact O-CB 3.44Å; G68-S116 WeakPolarHBondContact O-CB 3.33Å; G68-S116 PolarHBondContact O-OG 2.95Å; H84-S116 WeakPolarHBondContact NE2-CB 3.28Å; H84-S116 PolarHBondContact NE2-OG 2.85Å; G108-S116 WeakPolarHBondContact CA-OG 3.3Å; S109-S116 PolarHBondContact N-O 3.3Å; S109-S116 PolarHBondContact N-OG 3.43Å; S109-S116 PolarHBondContact O-N 2.82Å; S109-S116 PolarHBondContact O-OG 3.2Å; S109-S116 VanDerWaalsContact O-OG 3.09Å
117	L	90.8	Very high	88.4	Confident	64 Å²	64	57 Å²	57	34%	0.335	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-102.4	156.7	178.2	-58.9	179.2	0	0	0	110.3	V66 Y67 G68 G108	V66-L117 PolarHBondContact O-N 3.43Å; Y67-L117 WeakPolarHBondContact CA-O 3.46Å; Y67-L117 HydrophobicContact CD1-CB 3.76Å; Y67-L117 HydrophobicContact CE1-CB 3.65Å; Y67-L117 HydrophobicContact CE1-CD1 3.9Å; Y67-L117 HydrophobicContact CE1-CG 4.35Å; G68-L117 PolarHBondContact N-O 2.87Å; G108-L117 WeakPolarHBondContact CA-O 3.2Å
118	S	86.5	Confident	88.7	Confident	83 Å²	83	50 Å²	50	58%	0.58	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-76.2	148.6	166.9	-60.9	0	0	0	0	109.9	Y106 G108	Y106-S118 CarbonylContact O-C 3.52Å; Y106-S118 WeakPolarHBondContact O-CA 3.07Å; Y106-S118 WeakPolarHBondContact O-CB 3.37Å; G108-S118 PolarHBondContact N-OG 3.35Å
119	L	79.3	Confident	88.7	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-135.2	143.6	176	-164.7	68.5	0	0	0	109.3	Y67 A73 I75 Y106 W122 R759	Y67-L119 HydrophobicContact CD1-CB 3.86Å; Y67-L119 HydrophobicContact CD1-CD1 3.82Å; Y67-L119 HydrophobicContact CD1-CD2 4.35Å; Y67-L119 HydrophobicContact CD1-CG 4.23Å; Y67-L119 HydrophobicContact CE1-CD1 3.99Å; Y67-L119 HydrophobicContact CG-CB 4.27Å; Y67-L119 HydrophobicContact CG-CD1 4.36Å; Y67-L119 HydrophobicContact CG-CD2 4.14Å; A73-L119 HydrophobicContact CB-CD2 3.54Å; I75-L119 HydrophobicContact CG2-CD2 4.34Å; Y106-L119 HydrophobicContact CD2-CB 4.06Å; Y106-L119 HydrophobicContact CD2-CD2 4.36Å; Y106-L119 HydrophobicContact CG-CB 4.41Å; Y106-L119 PolarHBondContact N-O 2.92Å; Y106-L119 PolarHBondContact O-N 2.99Å; L119-W122 HydrophobicContact CD2-CB 4Å; L119-W122 HydrophobicContact CD2-CD2 3.91Å; L119-W122 HydrophobicContact CD2-CE3 3.78Å; L119-W122 HydrophobicContact CD2-CG 4.03Å; L119-W122 HydrophobicContact CG-CE3 4.47Å; L119-R759 HydrophobicContact CD1-CG 3.82Å
120	P	76.3	Confident	88.4	Confident	66 Å²	66	53 Å²	53	43%	0.429	29%	0.289	S	S	.	.	S	Bend	trans	-63.5	-164.4	164.5	-21.8	35.4	0	0	0	112.4	N104 Y106 W122	N104-P120 CarbonylContact O-C 3.57Å; Y106-P120 WeakPolarHBondContact CD2-O 3.37Å; P120-W122 PolarHBondContact O-N 3.4Å
121	K	79.4	Confident	87.5	Confident	99 Å²	99	48 Å²	48	43%	0.43	27%	0.265	S	S	.	.			trans	-51.3	129.8	175.6	-172.6	177.2	-174.8	-174.4	0	111.2	Q103 N104	Q103-K121 WeakPolarHBondContact O-CA 3.29Å; N104-K121 WeakPolarHBondContact O-CA 3.38Å; N104-K121 PolarHBondContact O-N 3.1Å; N104-K121 WeakPolarHBondContact OD1-CD 3.01Å; N104-K121 WeakPolarHBondContact OD1-CE 3.07Å
122	W	82.1	Confident	86.7	Confident	12 Å²	12	54.2 Å²	54.2	5%	0.045	29%	0.287	C	S	.	.			trans	-128.4	159.2	170.9	-156.6	-105.5	0	0	0	109.8	A73 S74 I75 G102 Q103 Y106 L119 P120 H758 D783	A73-W122 HydrophobicContact CB-CB 4.06Å; A73-W122 HydrophobicContact CB-CG 3.97Å; S74-W122 PolarHBondContact OG-NE1 2.91Å; I75-W122 HydrophobicContact CB-CH2 4.45Å; I75-W122 HydrophobicContact CB-CZ2 3.62Å; I75-W122 HydrophobicContact CD1-CH2 3.62Å; I75-W122 HydrophobicContact CD1-CZ2 3.52Å; I75-W122 HydrophobicContact CG1-CZ2 4.15Å; I75-W122 HydrophobicContact CG2-CD2 4.32Å; I75-W122 HydrophobicContact CG2-CH2 4.3Å; I75-W122 HydrophobicContact CG2-CZ2 3.7Å; G102-W122 WeakPolarHBondContact CA-O 3.3Å; Q103-W122 PolarHBondContact O-N 3.15Å; Y106-W122 HydrophobicContact CD2-CB 4.4Å; Y106-W122 HydrophobicContact CE2-CB 3.47Å; Y106-W122 VanDerWaalsContact CE2-CB 3.47Å; L119-W122 HydrophobicContact CD2-CB 4Å; L119-W122 HydrophobicContact CD2-CD2 3.91Å; L119-W122 HydrophobicContact CD2-CE3 3.78Å; L119-W122 HydrophobicContact CD2-CG 4.03Å; L119-W122 HydrophobicContact CG-CE3 4.47Å; P120-W122 PolarHBondContact O-N 3.4Å; W122-H758 HydrophobicContact CH2-CB 3.61Å; W122-H758 AromaticContact CH2-ND1 3.71Å; W122-H758 HydrophobicContact CZ3-CB 3.67Å; W122-D783 WeakPolarHBondContact CZ2-OD2 3.39Å; W122-D783 PolarHBondContact NE1-OD2 3.38Å
123	R	72.6	Confident	85.4	Confident	59 Å²	59	52.8 Å²	52.8	22%	0.223	28%	0.283	C	S	.	.	S	Bend	trans	-75.5	-36.1	-169.6	85.9	-160.9	90.1	-109.7	3.3	114.2	G102 D783	G102-R123 VanDerWaalsContact CA-C 3.49Å; G102-R123 VanDerWaalsContact CA-O 3.28Å; G102-R123 WeakPolarHBondContact CA-O 3.35Å; G102-R123 PolarHBondContact N-O 3.05Å; R123-D783 VanDerWaalsContact CD-C 3.49Å; R123-D783 WeakPolarHBondContact CD-O 3.27Å; R123-D783 IonicContact CZ-OD2 2.69Å; R123-D783 VanDerWaalsContact CZ-OD2 3.23Å; R123-D783 PolarHBondContact NE-O 3.37Å; R123-D783 IonicContact NE-OD2 3.63Å; R123-D783 PolarHBondContact NE-OD2 3.47Å; R123-D783 PolarHBondContact NH1-O 3.07Å; R123-D783 IonicContact NH2-OD2 2.76Å; R123-D783 PolarHBondContact NH2-OD2 2.95Å
124	E	83.9	Confident	84.3	Confident	41 Å²	41	55.3 Å²	55.3	19%	0.192	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.4	-168.9	-179.5	-169.4	-102.6	0	0	108.6	S74 K99 Y106	S74-E124 WeakPolarHBondContact CB-OE2 3.49Å; S74-E124 PolarHBondContact N-O 2.94Å; K99-E124 VanDerWaalsContact CD-OE1 3.28Å; K99-E124 WeakPolarHBondContact CD-OE1 3.5Å; K99-E124 WeakPolarHBondContact CE-OE1 3.32Å; K99-E124 WeakPolarHBondContact CE-OE2 3.49Å; K99-E124 IonicContact NZ-OE1 3.56Å; K99-E124 PolarHBondContact NZ-OE1 3.28Å; K99-E124 IonicContact NZ-OE2 3.52Å; K99-E124 PolarHBondContact NZ-OE2 3Å; Y106-E124 PolarHBondContact OH-O 3.48Å
125	S	93.4	Very high	82.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	164.4	172.1	-34	0	0	0	0	110.8	V71 F72 K99 M100 A101 G102 Y106	V71-S125 VanDerWaalsContact CG1-CB 3.5Å; F72-S125 CarbonylContact O-C 3.54Å; F72-S125 WeakPolarHBondContact O-CA 3.48Å; F72-S125 WeakPolarHBondContact O-CB 3.37Å; K99-S125 CarbonylContact C-O 3.44Å; K99-S125 WeakPolarHBondContact CA-O 3.45Å; M100-S125 PolarHBondContact N-O 3.38Å; M100-S125 PolarHBondContact O-N 2.97Å; M100-S125 VanDerWaalsContact O-O 3.08Å; A101-S125 WeakPolarHBondContact O-CB 3.29Å; A101-S125 PolarHBondContact O-OG 2.89Å; G102-S125 WeakPolarHBondContact CA-OG 3.41Å; Y106-S125 PolarHBondContact OH-OG 3.45Å
126	F	95.6	Very high	81.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.5	163.9	69.3	-78.5	0	0	0	112	A43 F72 A73 A81 V97 R98 V128	A43-F126 HydrophobicContact CB-CB 4.15Å; A43-F126 HydrophobicContact CB-CD1 3.23Å; A43-F126 HydrophobicContact CB-CD2 4.04Å; A43-F126 HydrophobicContact CB-CE1 3.37Å; A43-F126 HydrophobicContact CB-CE2 4.17Å; A43-F126 HydrophobicContact CB-CG 3.56Å; A43-F126 HydrophobicContact CB-CZ 3.85Å; F72-F126 HydrophobicContact CB-CD1 4.07Å; F72-F126 HydrophobicContact CB-CE1 3.72Å; F72-F126 HydrophobicContact CB-CE2 4.29Å; F72-F126 HydrophobicContact CB-CZ 3.85Å; F72-F126 PolarHBondContact N-O 3.05Å; F72-F126 PolarHBondContact O-N 2.97Å; A73-F126 WeakPolarHBondContact O-CE1 3.47Å; A81-F126 HydrophobicContact CB-CE2 3.8Å; A81-F126 HydrophobicContact CB-CZ 3.73Å; V97-F126 HydrophobicContact CG1-CB 4.06Å; V97-F126 HydrophobicContact CG1-CD2 3.87Å; V97-F126 HydrophobicContact CG1-CG 4.27Å; R98-F126 CarbonylContact O-C 3.58Å; R98-F126 WeakPolarHBondContact O-CA 3.09Å; R98-F126 WeakPolarHBondContact O-CB 3.37Å; F126-V128 HydrophobicContact CD2-CG1 3.85Å; F126-V128 HydrophobicContact CE2-CG1 3.69Å
127	V	95.8	Very high	79.9	Confident	36 Å²	36	62.9 Å²	62.9	22%	0.218	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.3	164.5	-64.2	0	0	0	0	109.4	V71 R98 M100	V71-V127 HydrophobicContact CB-CG1 4.36Å; V71-V127 HydrophobicContact CG1-CG1 4.43Å; V71-V127 HydrophobicContact CG2-CG1 3.83Å; R98-V127 HydrophobicContact CB-CG2 3.94Å; R98-V127 PolarHBondContact N-O 3.01Å; R98-V127 PolarHBondContact O-N 2.8Å; M100-V127 HydrophobicContact CE-CB 4.37Å; M100-V127 HydrophobicContact CE-CG1 3.63Å; M100-V127 HydrophobicContact CE-CG2 3.85Å; M100-V127 HydrophobicContact SD-CG1 4.25Å
128	V	95.4	Very high	79	Confident	16 Å²	16	67.4 Å²	67.4	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.4	177.7	-77.3	0	0	0	0	109.8	F72 A82 S85 V87 V95 V97 F126	F72-V128 HydrophobicContact CD2-CG2 4.25Å; F72-V128 HydrophobicContact CE2-CG2 3.79Å; A82-V128 HydrophobicContact CB-CB 4.49Å; A82-V128 HydrophobicContact CB-CG1 4.35Å; S85-V128 WeakPolarHBondContact OG-CG2 3.31Å; V87-V128 HydrophobicContact CG2-CG2 4.29Å; V95-V128 HydrophobicContact CG2-CB 3.76Å; V95-V128 HydrophobicContact CG2-CG1 3.68Å; V97-V128 HydrophobicContact CG2-CG1 4.39Å; F126-V128 HydrophobicContact CD2-CG1 3.85Å; F126-V128 HydrophobicContact CE2-CG1 3.69Å
129	S	92.5	Very high	78.6	Confident	46 Å²	46	63.8 Å²	63.8	32%	0.322	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.5	-177.9	59.6	0	0	0	0	111.5	V87 I96 G131	V87-S129 WeakPolarHBondContact CG1-O 3.5Å; I96-S129 WeakPolarHBondContact CB-OG 3.13Å; I96-S129 PolarHBondContact N-O 2.77Å; I96-S129 PolarHBondContact O-N 3.3Å; I96-S129 PolarHBondContact O-OG 2.92Å; I96-S129 VanDerWaalsContact O-OG 3.12Å; S129-G131 PolarHBondContact O-N 3.38Å
130	V	87.5	Confident	78.5	Confident	86 Å²	86	66.2 Å²	66.2	52%	0.521	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	128	-173.7	-178.1	0	0	0	0	110.4	V87 K132	V87-V130 HydrophobicContact CG1-CG2 4.39Å; V130-K132 HydrophobicContact CG1-CD 4.44Å; V130-K132 HydrophobicContact CG1-CG 4.26Å; V130-K132 PolarHBondContact O-N 2.89Å
131	G	75.4	Confident	78.3	Confident	11 Å²	11	66.4 Å²	66.4	11%	0.113	36%	0.363	C	S	.	.	S	Bend	trans	-70	45.5	-174.5	0	0	0	0	0	116.7	K94 S129	K94-G131 VanDerWaalsContact O-CA 3.27Å; K94-G131 WeakPolarHBondContact O-CA 3.22Å; K94-G131 PolarHBondContact O-N 2.9Å; S129-G131 PolarHBondContact O-N 3.38Å
132	K	74.8	Confident	78.3	Confident	169 Å²	169	66.5 Å²	66.5	74%	0.735	37%	0.371	S	S	*	.			trans	-94.5	111	166.4	-70	175.9	-179.3	176	0	107.6	I96 V130 K134	I96-K132 WeakPolarHBondContact CD1-O 3.05Å; V130-K132 HydrophobicContact CG1-CD 4.44Å; V130-K132 HydrophobicContact CG1-CG 4.26Å; V130-K132 PolarHBondContact O-N 2.89Å; K132-K134 PolarHBondContact O-N 3.39Å
133	P	65.9	Low	78.2	Confident	66 Å²	66	66.7 Å²	66.7	43%	0.429	37%	0.373	S	S	.	.			trans	-56.1	133.2	-177.3	-27.5	35.5	0	0	0	112.8	I52 K135 Y139	I52-P133 HydrophobicContact CD1-CG 4.2Å; P133-K135 PolarHBondContact O-N 3.15Å; P133-Y139 HydrophobicContact CB-CD2 4.35Å; P133-Y139 HydrophobicContact CB-CE2 4.12Å
134	K	65.2	Low	78.5	Confident	94 Å²	94	67.5 Å²	67.5	41%	0.409	38%	0.382	S	S	.	.			trans	-60.8	132.4	176	-64.6	170.7	-172.9	165.4	0	109.4	E50 K132 G136 V137 Y139	E50-K134 WeakPolarHBondContact OE1-CE 3.27Å; E50-K134 IonicContact OE1-NZ 3.32Å; E50-K134 PolarHBondContact OE1-NZ 3.21Å; E50-K134 IonicContact OE2-NZ 2.69Å; E50-K134 PolarHBondContact OE2-NZ 2.95Å; K132-K134 PolarHBondContact O-N 3.39Å; K134-G136 PolarHBondContact O-N 2.83Å; K134-V137 HydrophobicContact CB-CB 4.04Å; K134-V137 HydrophobicContact CB-CG2 3.7Å; K134-V137 HydrophobicContact CD-CG2 4.21Å; K134-V137 PolarHBondContact O-N 2.88Å; K134-Y139 WeakPolarHBondContact CD-OH 3.21Å
135	K	58	Low	77.7	Confident	222 Å²	222	69.8 Å²	69.8	97%	0.965	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	99.2	-175.6	-173.1	-175.8	-179.4	-173.9	0	110.7	P133	P133-K135 PolarHBondContact O-N 3.15Å
136	G	61.1	Low	75.9	Confident	80 Å²	80	70.3 Å²	70.3	83%	0.825	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.1	-6.2	-178.1	0	0	0	0	0	115	K134	K134-G136 PolarHBondContact O-N 2.83Å
137	V	67.3	Low	73.2	Confident	65 Å²	65	74.4 Å²	74.4	39%	0.394	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-95.5	128.1	174.6	-178.6	0	0	0	0	109.7	K134 Y139	K134-V137 HydrophobicContact CB-CB 4.04Å; K134-V137 HydrophobicContact CB-CG2 3.7Å; K134-V137 HydrophobicContact CD-CG2 4.21Å; K134-V137 PolarHBondContact O-N 2.88Å; V137-Y139 HydrophobicContact CB-CE2 4.29Å; V137-Y139 HydrophobicContact CG1-CD1 4.26Å; V137-Y139 HydrophobicContact CG1-CD2 4.39Å; V137-Y139 HydrophobicContact CG1-CE1 3.83Å; V137-Y139 HydrophobicContact CG1-CE2 3.96Å
138	I	72.1	Confident	70.6	Confident	159 Å²	159	76.7 Å²	76.7	82%	0.815	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-95.3	123	169.5	-57.1	176.4	0	0	0	107.1
139	Y	76.8	Confident	67.7	Low	8 Å²	8	84.5 Å²	84.5	3%	0.031	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-99.1	144.3	170	-58	-80.5	0	0	0	109.3	Q32 E50 I52 I96 P133 K134 V137	Q32-Y139 VanDerWaalsContact NE2-CB 3.34Å; Q32-Y139 PolarHBondContact NE2-O 2.85Å; E50-Y139 HydrophobicContact CG-CE1 3.93Å; E50-Y139 WeakPolarHBondContact OE1-CE1 3.14Å; E50-Y139 PolarHBondContact OE1-OH 2.84Å; I52-Y139 HydrophobicContact CB-CD2 4.42Å; I52-Y139 HydrophobicContact CB-CG 4.27Å; I52-Y139 HydrophobicContact CG2-CD2 4.21Å; I52-Y139 HydrophobicContact CG2-CG 3.97Å; I96-Y139 HydrophobicContact CD1-CE2 4.12Å; I96-Y139 HydrophobicContact CG2-CE1 4.45Å; P133-Y139 HydrophobicContact CB-CD2 4.35Å; P133-Y139 HydrophobicContact CB-CE2 4.12Å; K134-Y139 WeakPolarHBondContact CD-OH 3.21Å; V137-Y139 HydrophobicContact CB-CE2 4.29Å; V137-Y139 HydrophobicContact CG1-CD1 4.26Å; V137-Y139 HydrophobicContact CG1-CD2 4.39Å; V137-Y139 HydrophobicContact CG1-CE1 3.83Å; V137-Y139 HydrophobicContact CG1-CE2 3.96Å
140	P	77.3	Confident	64.8	Low	55 Å²	55	87.1 Å²	87.1	36%	0.357	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-52.2	143.4	173.8	-29.6	38.2	0	0	0	113.1	L48 T142	L48-P140 HydrophobicContact CD1-CB 4.15Å; L48-P140 HydrophobicContact CD1-CG 3.95Å; L48-P140 HydrophobicContact CD2-CG 4.18Å; P140-T142 VanDerWaalsContact C-N 3.28Å; P140-T142 VanDerWaalsContact CB-O 3.26Å; P140-T142 WeakPolarHBondContact CB-O 3.47Å
141	S	72.4	Confident	62.1	Low	71 Å²	71	89.6 Å²	89.6	50%	0.497	50%	0.497	S	S	.	.	S	Bend	trans	-79.1	-12.4	175	45.4	0	0	0	0	113.6
142	T	78.6	Confident	59.9	Low	100 Å²	100	99 Å²	99	61%	0.613	53%	0.531	S	S	*	.	S	Bend	trans	-130.4	153.5	177.9	47.5	0	0	0	0	109.1	P140	P140-T142 VanDerWaalsContact C-N 3.28Å; P140-T142 VanDerWaalsContact CB-O 3.26Å; P140-T142 WeakPolarHBondContact CB-O 3.47Å
143	L	80.7	Confident	57.7	Low	16 Å²	16	97 Å²	97	8%	0.084	53%	0.532	C	S	.	.			trans	-97.6	130.9	172.7	-55.4	173.5	0	0	0	108.7	P35 I37 I46 L48 F51 A53 Y145	P35-L143 HydrophobicContact CB-CD1 4.23Å; P35-L143 HydrophobicContact CB-CG 3.98Å; P35-L143 HydrophobicContact CG-CD1 3.95Å; P35-L143 HydrophobicContact CG-CD2 3.68Å; P35-L143 HydrophobicContact CG-CG 3.46Å; P35-L143 VanDerWaalsContact CG-CG 3.46Å; I37-L143 HydrophobicContact CG2-CD1 3.36Å; I46-L143 HydrophobicContact CD1-CD1 3.85Å; I46-L143 HydrophobicContact CG2-CB 4.41Å; I46-L143 HydrophobicContact CG2-CD2 4.48Å; L48-L143 HydrophobicContact CD1-CD2 4.05Å; F51-L143 HydrophobicContact CB-CD2 4.03Å; F51-L143 HydrophobicContact CD2-CD2 3.62Å; F51-L143 HydrophobicContact CE2-CD2 4.36Å; F51-L143 HydrophobicContact CG-CD2 4.06Å; A53-L143 HydrophobicContact CB-CD1 4.33Å; L143-Y145 HydrophobicContact CB-CD2 4.07Å; L143-Y145 HydrophobicContact CB-CE2 3.88Å; L143-Y145 HydrophobicContact CD1-CE1 4.31Å; L143-Y145 HydrophobicContact CD1-CE2 4.4Å; L143-Y145 WeakPolarHBondContact O-CD2 3.32Å; L143-Y145 PolarHBondContact O-N 2.99Å; L143-Y145 VanDerWaalsContact O-N 3.13Å
144	D	78.6	Confident	55.8	Low	77 Å²	77	103.3 Å²	103.3	41%	0.412	55%	0.553	S	S	.	*			trans	-77	91.7	163.9	174.9	16.4	0	0	0	107.9	N47 K786	N47-D144 HydrophobicContact CB-CB 4.04Å; N47-D144 WeakPolarHBondContact CB-OD2 3.11Å; N47-D144 PolarHBondContact N-O 3.17Å; N47-D144 PolarHBondContact ND2-OD2 3.01Å; D144-K786 IonicContact OD1-NZ 2.78Å; D144-K786 PolarHBondContact OD1-NZ 3.44Å; D144-K786 IonicContact OD2-NZ 3.9Å
145	Y	67.9	Low	54.1	Low	89 Å²	89	104.9 Å²	104.9	35%	0.349	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-74.6	160.8	171.8	-68.1	-81.4	0	0	0	111.1	D36 I37 V41 K45 I46 L143 P147 K786	D36-Y145 PolarHBondContact O-OH 2.79Å; I37-Y145 WeakPolarHBondContact CG2-OH 3.49Å; V41-Y145 HydrophobicContact CG1-CE1 4.17Å; K45-Y145 CarbonylContact O-C 3.57Å; K45-Y145 WeakPolarHBondContact O-CA 3.49Å; I46-Y145 HydrophobicContact CD1-CD1 4.45Å; I46-Y145 HydrophobicContact CD1-CE1 4.2Å; I46-Y145 HydrophobicContact CG1-CD1 3.86Å; I46-Y145 HydrophobicContact CG1-CE1 4.11Å; L143-Y145 HydrophobicContact CB-CD2 4.07Å; L143-Y145 HydrophobicContact CB-CE2 3.88Å; L143-Y145 HydrophobicContact CD1-CE1 4.31Å; L143-Y145 HydrophobicContact CD1-CE2 4.4Å; L143-Y145 WeakPolarHBondContact O-CD2 3.32Å; L143-Y145 PolarHBondContact O-N 2.99Å; L143-Y145 VanDerWaalsContact O-N 3.13Å; Y145-P147 WeakPolarHBondContact O-CD 3.48Å; Y145-K786 PolarHBondContact O-NZ 3.48Å
146	A	55.2	Low	52.6	Low	10 Å²	10	97.6 Å²	97.6	8%	0.083	56%	0.558	C	S	.	*			trans	-55.4	124.7	156	0	0	0	0	0	109.6	K45 S148 K786	K45-A146 PolarHBondContact O-N 3.42Å; A146-S148 PolarHBondContact O-N 3.16Å; A146-K786 HydrophobicContact CB-CD 4.04Å; A146-K786 HydrophobicContact CB-CG 3.77Å
147	P	39.6	Very low	51.2	Low	87 Å²	87	99.4 Å²	99.4	57%	0.565	56%	0.556	S	S	*	*			trans	-80	92	-177.6	32	-34.4	0	0	0	110.3	Y145 R149 Q774	Y145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-R149 PolarHBondContact O-N 2.93Å; P147-Q774 PolarHBondContact O-NE2 3.17Å
148	S	41.4	Very low	49.4	Very low	83 Å²	83	106 Å²	106	58%	0.58	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59.3	118.5	148.8	48.9	0	0	0	0	107.9	A146	A146-S148 PolarHBondContact O-N 3.16Å
149	R	33.1	Very low	47.3	Very low	181 Å²	181	105.8 Å²	105.8	68%	0.683	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-79	128.3	-177.6	-157.9	179.5	-169.1	-171	4.5	107.4	P147 T151 D793	P147-R149 PolarHBondContact O-N 2.93Å; R149-T151 PolarHBondContact O-N 3.42Å; R149-D793 IonicContact NH1-OD1 2.68Å
150	P	32.2	Very low	44.9	Very low	101 Å²	101	112.1 Å²	112.1	66%	0.656	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-63.6	130.1	-173.7	24.2	-33.8	0	0	0	111.3	Y152	P150-Y152 PolarHBondContact O-N 2.87Å; P150-Y152 VanDerWaalsContact O-N 3.16Å
151	T	30.3	Very low	42.6	Very low	138 Å²	138	119.3 Å²	119.3	85%	0.847	65%	0.645	S	S	*	*			trans	-67.9	108.6	-175.7	-20.8	0	0	0	0	110.8	R149 V153	R149-T151 PolarHBondContact O-N 3.42Å; T151-V153 PolarHBondContact O-N 2.68Å; T151-V153 VanDerWaalsContact O-N 3.1Å
152	Y	29.5	Very low	40.4	Very low	209 Å²	209	123.9 Å²	123.9	82%	0.82	66%	0.663	S	S	*	*			trans	-76.7	96.2	178.6	-95.6	-91.7	0	0	0	111.6	P150 K154	P150-Y152 PolarHBondContact O-N 2.87Å; P150-Y152 VanDerWaalsContact O-N 3.16Å; Y152-K154 PolarHBondContact O-N 2.78Å
153	V	28.1	Very low	37.8	Very low	125 Å²	125	122.9 Å²	122.9	76%	0.758	67%	0.665	S	S	*	*			trans	-69.8	106.7	163.4	-180	0	0	0	0	108.4	T151 T155	T151-V153 PolarHBondContact O-N 2.68Å; T151-V153 VanDerWaalsContact O-N 3.1Å; V153-T155 PolarHBondContact O-N 3.3Å; V153-T155 VanDerWaalsContact O-N 3.11Å
154	K	26.8	Very low	35.2	Very low	200 Å²	200	127.2 Å²	127.2	87%	0.87	70%	0.703	S	S	*	*			trans	-69.6	102.3	173	-80.9	-177.1	176	175.1	0	110.4	Y152	Y152-K154 PolarHBondContact O-N 2.78Å
155	T	28.4	Very low	32.8	Very low	127 Å²	127	131 Å²	131	78%	0.779	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-82.8	132.3	153.5	43.4	0	0	0	0	109.1	V153	V153-T155 PolarHBondContact O-N 3.3Å; V153-T155 VanDerWaalsContact O-N 3.11Å
156	G	26.7	Very low	30.8	Very low	68 Å²	68	133 Å²	133	70%	0.701	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-71.7	141.4	-175.9	0	0	0	0	0	112.9
157	P	32.4	Very low	29.3	Very low	119 Å²	119	139 Å²	139	77%	0.773	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.4	141.9	173.2	-20.5	32.8	0	0	0	112.3
158	K	29.4	Very low	28.6	Very low	202 Å²	202	142.8 Å²	142.8	88%	0.878	79%	0.794	S	S	*	*			trans	-94	109.1	157.9	-73.4	-175.4	176.5	-176.8	0	108	T160	K158-T160 PolarHBondContact O-N 3.48Å
159	D	28.8	Very low	28.5	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	80%	0.803	S	S	*	*			trans	-73.6	124.4	174.3	-80.1	-48.5	0	0	0	111.4
160	T	26.2	Very low	28.9	Very low	141 Å²	141	140.9 Å²	140.9	87%	0.865	80%	0.803	S	S	*	*			trans	-118.3	113.5	163.4	-55.6	0	0	0	0	107.7	K158	K158-T160 PolarHBondContact O-N 3.48Å
161	K	27.6	Very low	28.6	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.896	81%	0.811	S	S	*	*			trans	-136.8	136.9	173.8	-153.2	174	-175.2	179.9	0	111.1
162	L	26.7	Very low	28.6	Very low	166 Å²	166	142.1 Å²	142.1	87%	0.869	81%	0.809	S	S	*	*			trans	-95.2	135	-167.3	-164.4	72.2	0	0	0	111.9
163	A	25.1	Very low	28.6	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	80%	0.804	S	S	*	*			trans	33.1	122	155.3	0	0	0	0	0	121.1
164	A	26.2	Very low	29.3	Very low	106 Å²	106	136.7 Å²	136.7	88%	0.876	81%	0.81	S	S	*	*			trans	-131.4	138.3	134.7	0	0	0	0	0	107.9
165	L	27.3	Very low	29.5	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	81%	0.808	S	S	*	*			trans	-100.7	134.8	-179.6	-86.8	74	0	0	0	111.1
166	T	24.9	Very low	29.5	Very low	130 Å²	130	134.1 Å²	134.1	80%	0.798	81%	0.808	S	S	*	*			trans	-161.5	119.8	138.7	15.2	0	0	0	0	112.6
167	T	25	Very low	29.6	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	81%	0.807	S	S	*	*			trans	54.7	132	143.9	51.3	0	0	0	0	123.3
168	L	25.1	Very low	29.4	Very low	166 Å²	166	135.8 Å²	135.8	87%	0.869	80%	0.802	S	S	*	*			trans	-98.3	-172.9	175.1	-81.7	164.5	0	0	0	111.5
169	P	38.6	Very low	29.3	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	80%	0.797	S	S	*	*			cis	-127.9	-124.2	-4.5	27.1	0.7	0	0	0	113.6
170	P	41.3	Very low	29.5	Very low	107 Å²	107	130.9 Å²	130.9	70%	0.695	80%	0.795	S	S	*	*				-138.3	161	-118.2	43.6	-23.3	0	0	0	119
171	T	26.9	Very low	30.6	Very low	133 Å²	133	129.9 Å²	129.9	82%	0.816	79%	0.791	S	S	*	*			trans	-155.7	122.5	156.6	-0.2	0	0	0	0	115.6
172	T	29.3	Very low	31	Very low	132 Å²	132	127 Å²	127	81%	0.81	78%	0.781	S	S	*	*			trans	38.2	130	142.5	53.8	0	0	0	0	123.4
173	A	29.4	Very low	31.9	Very low	87 Å²	87	125.1 Å²	125.1	72%	0.719	78%	0.778	S	S	*	*			trans	-79.9	179.1	154.2	0	0	0	0	0	112
174	P	44.1	Very low	32.1	Very low	133 Å²	133	126.2 Å²	126.2	86%	0.864	78%	0.777	S	S	*	*				-145.3	-170.8	86.8	40.1	-22.7	0	0	0	115.7
175	E	29.6	Very low	32.4	Very low	181 Å²	181	127.3 Å²	127.3	85%	0.846	77%	0.773	S	S	*	*			trans	-103.9	162.6	-167.1	-56.4	162.8	100	0	0	116
176	A	28.5	Very low	32.6	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	77%	0.768	S	S	*	*			trans	-164	132.2	147.9	0	0	0	0	0	106.8
177	T	28.6	Very low	32.8	Very low	112 Å²	112	126.2 Å²	126.2	69%	0.687	77%	0.773	S	S	*	*			cis	70.9	124.7	26.9	-22.9	0	0	0	0	110.7
178	T	28.2	Very low	33.4	Very low	110 Å²	110	124 Å²	124	68%	0.675	77%	0.768	S	S	*	*			cis	-164.3	146.4	43	-36.7	0	0	0	0	113.3
179	T	28.7	Very low	34.7	Very low	126 Å²	126	121.8 Å²	121.8	77%	0.773	76%	0.764	S	S	*	*			trans	54.4	132.6	151	51.3	0	0	0	0	126.3
180	T	32.8	Very low	34.3	Very low	129 Å²	129	123.2 Å²	123.2	79%	0.791	77%	0.771	S	S	*	*			trans	-39.4	179	141.2	23.6	0	0	0	0	117.2
181	P	49.5	Very low	33.8	Very low	120 Å²	120	123.6 Å²	123.6	78%	0.779	77%	0.771	S	S	*	*			cis	-140.3	-179.5	22.1	43.4	-23.7	0	0	0	119.5
182	E	34.5	Very low	34	Very low	146 Å²	146	124.2 Å²	124.2	68%	0.682	78%	0.775	S	S	*	*			trans	-76	158.7	164.7	-176.2	-163.3	155.5	0	0	112.6	T184	E182-T184 PolarHBondContact OE1-OG1 2.57Å
183	P	45.7	Very low	34.1	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	77%	0.771	S	S	*	*			trans	-125.8	137	146.9	36.6	-25.9	0	0	0	114
184	T	29.4	Very low	34.3	Very low	104 Å²	104	125 Å²	125	64%	0.638	77%	0.771	S	S	*	*			trans	-101.8	-175.2	178.9	-27.1	0	0	0	0	111.5	E182	E182-T184 PolarHBondContact OE1-OG1 2.57Å
185	T	32.7	Very low	33.6	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	77%	0.771	S	S	*	*			trans	88.5	152.8	166.2	75.6	0	0	0	0	118.5
186	T	32.3	Very low	33.8	Very low	118 Å²	118	122.6 Å²	122.6	72%	0.724	77%	0.767	S	S	*	*			cis	-169.5	140.2	-27.5	-87.7	0	0	0	0	108.7
187	T	29.6	Very low	34	Very low	146 Å²	146	126.5 Å²	126.5	90%	0.896	77%	0.771	S	S	*	*			trans	-164.2	155.6	146.2	0.1	0	0	0	0	111.1
188	A	35.8	Very low	34.9	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	77%	0.774	S	S	*	*			trans	-143.6	-143.7	-171.6	0	0	0	0	0	112.7
189	P	54.1	Low	35.9	Very low	121 Å²	121	126.6 Å²	126.6	79%	0.786	78%	0.776	S	S	*	*				-127.6	172.2	-105.4	40	-23.9	0	0	0	115.7
190	T	29.2	Very low	36.7	Very low	146 Å²	146	126.5 Å²	126.5	90%	0.896	78%	0.777	S	S	*	*			trans	-135.8	150.3	164.3	-43.7	0	0	0	0	111.8
191	T	30.9	Very low	37.4	Very low	115 Å²	115	126.3 Å²	126.3	71%	0.706	78%	0.778	S	S	*	*			trans	-101.9	157.1	-162.3	49.8	0	0	0	0	116.3
192	T	31.9	Very low	38.2	Very low	146 Å²	146	126.2 Å²	126.2	90%	0.896	78%	0.777	S	S	*	*			trans	-149.5	156.6	133.3	-17.7	0	0	0	0	110.7
193	T	30.5	Very low	38.1	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	78%	0.781	S	S	*	*			trans	-134	135.7	-159	22.5	0	0	0	0	115.8
194	T	33.1	Very low	37.5	Very low	117 Å²	117	125.2 Å²	125.2	72%	0.718	78%	0.78	S	S	*	*			trans	57.8	116.9	134.8	-45.4	0	0	0	0	121.6
195	T	30.3	Very low	37.5	Very low	143 Å²	143	126.6 Å²	126.6	88%	0.877	79%	0.788	S	S	*	*				-163.5	158	128	3.6	0	0	0	0	111.9
196	T	32.9	Very low	37.5	Very low	121 Å²	121	130.1 Å²	130.1	74%	0.742	79%	0.792	S	S	*	*			trans	-147.2	135.8	-165.3	38.7	0	0	0	0	114.9
197	M	34.2	Very low	37.5	Very low	174 Å²	174	129.2 Å²	129.2	86%	0.857	80%	0.797	S	S	*	*			trans	63.8	170.5	161.1	-65	-172	70.7	0	0	116.8
198	P	47.3	Very low	37.5	Very low	116 Å²	116	133.9 Å²	133.9	75%	0.753	80%	0.798	S	S	*	*			cis	-124.9	-179.6	-1	42	-26.8	0	0	0	115
199	P	48.6	Very low	37.2	Very low	109 Å²	109	134 Å²	134	71%	0.708	80%	0.798	S	S	*	*			trans	-96.5	158.2	177.4	36.9	-35.1	0	0	0	115.1
200	P	44.4	Very low	36	Very low	124 Å²	124	132.4 Å²	132.4	81%	0.805	80%	0.796	S	S	*	*			trans	-93.2	157.9	175.8	35.7	-34.5	0	0	0	115.1
201	P	48.5	Very low	36.1	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	79%	0.788	S	S	*	*			trans	-102.7	178.4	-172.2	41.1	-37.6	0	0	0	115.8
202	P	66.4	Low	36	Very low	118 Å²	118	133.7 Å²	133.7	77%	0.766	79%	0.791	S	S	*	*			trans	-113	156.3	-168.7	40.2	-32.5	0	0	0	116.9
203	T	32.3	Very low	35.8	Very low	125 Å²	125	134.8 Å²	134.8	77%	0.767	78%	0.784	S	S	*	*			trans	-161.6	123.4	168.6	17.8	0	0	0	0	116
204	T	33.5	Very low	35.9	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	78%	0.781	S	S	*	*			trans	57.7	158.2	140.7	59.2	0	0	0	0	121.3
205	T	29.7	Very low	35.6	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	78%	0.784	S	S	*	*			cis	-151.5	-167.3	15.4	-21.6	0	0	0	0	113.8
206	K	31.3	Very low	35.6	Very low	203 Å²	203	138.7 Å²	138.7	88%	0.883	77%	0.774	S	S	*	*			trans	-94	151.2	-158	-63.2	167.2	177.5	169.5	0	118.4
207	A	32.6	Very low	35.4	Very low	99 Å²	99	137.4 Å²	137.4	82%	0.818	78%	0.775	S	S	*	*			trans	-29.7	148.2	160.8	0	0	0	0	0	123.9
208	R	29	Very low	35	Very low	245 Å²	245	132.4 Å²	132.4	93%	0.925	77%	0.768	S	S	*	*			trans	-165	139.2	131.3	-101.5	-176.8	164.7	166.8	-5.3	107.7
209	A	30.3	Very low	34.2	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	77%	0.773	S	S	*	*				66.4	133.3	67.8	0	0	0	0	0	114.9
210	A	29.5	Very low	33.4	Very low	89 Å²	89	133.4 Å²	133.4	74%	0.736	78%	0.781	S	S	*	*			cis	-172.6	-178.1	-13.3	0	0	0	0	0	111.6
211	V	30.7	Very low	32.9	Very low	120 Å²	120	135 Å²	135	73%	0.727	78%	0.777	S	S	*	*			trans	87.1	133.9	146.1	164.4	0	0	0	0	122.1
212	H	28.8	Very low	33.1	Very low	168 Å²	168	134.4 Å²	134.4	78%	0.778	77%	0.773	S	S	*	*			trans	69.1	161.1	159.6	-72.2	-13.2	0	0	0	121.6
213	K	28.6	Very low	31.6	Very low	169 Å²	169	136.7 Å²	136.7	74%	0.735	77%	0.768	S	S	*	*			cis	-174.1	164.9	-46.9	-139.2	-175.8	174.9	-176.1	0	110.3
214	I	30.9	Very low	31.8	Very low	130 Å²	130	136.8 Å²	136.8	67%	0.667	76%	0.762	S	S	*	*			trans	80.9	109.9	152.3	-70.4	161.7	0	0	0	119.5
215	R	28.5	Very low	31.9	Very low	207 Å²	207	134.3 Å²	134.3	78%	0.781	76%	0.755	S	S	*	*			trans	60.8	163.2	132.4	-62.9	-176.3	93	142	3.7	119.7
216	D	29.1	Very low	32.1	Very low	123 Å²	123	135.4 Å²	135.4	66%	0.658	75%	0.751	S	S	*	*			cis	-149.4	169.1	-8.3	-110.3	-12.4	0	0	0	103.8
217	A	29.3	Very low	32.1	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	75%	0.748	S	S	*	*			cis	-179.6	-172.2	5.4	0	0	0	0	0	105.9
218	G	25.4	Very low	32.1	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	74%	0.743	S	S	*	*			trans	97.5	85	168.5	0	0	0	0	0	115.1
219	S	31	Very low	32.2	Very low	121 Å²	121	124.8 Å²	124.8	85%	0.846	74%	0.739	S	S	*	*			cis	96.2	92.7	40.6	83.3	0	0	0	0	114.8
220	S	31	Very low	32.6	Very low	125 Å²	125	124.8 Å²	124.8	87%	0.874	74%	0.739	S	S	*	*			trans	-148.5	116.3	152	47	0	0	0	0	111.3
221	H	34.3	Very low	32.8	Very low	157 Å²	157	126.3 Å²	126.3	73%	0.727	74%	0.744	S	S	*	*			trans	-104.3	-172.4	168.1	-106.6	-26.2	0	0	0	108.1	Y223	H221-Y223 AromaticContact CE1-CD2 3.52Å; H221-Y223 AromaticContact CE1-CE2 3.72Å; H221-Y223 AromaticContact ND1-CD2 3.86Å; H221-Y223 AromaticContact NE2-CD2 3.78Å; H221-Y223 AromaticContact NE2-CE2 3.82Å
222	P	51.9	Low	32.9	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	74%	0.744	S	S	*	*			cis	-117.6	171	-1.6	10.8	16.3	0	0	0	113.5
223	Y	36.3	Very low	33.2	Very low	167 Å²	167	128.7 Å²	128.7	66%	0.655	75%	0.749	S	S	*	*				72.4	139.6	51.5	-108.8	-65.4	0	0	0	111.6	H221 A225	H221-Y223 AromaticContact CE1-CD2 3.52Å; H221-Y223 AromaticContact CE1-CE2 3.72Å; H221-Y223 AromaticContact ND1-CD2 3.86Å; H221-Y223 AromaticContact NE2-CD2 3.78Å; H221-Y223 AromaticContact NE2-CE2 3.82Å; Y223-A225 HydrophobicContact CD1-CB 4.05Å; Y223-A225 HydrophobicContact CE1-CB 4.1Å
224	L	35	Very low	33.3	Very low	126 Å²	126	129.4 Å²	129.4	66%	0.66	76%	0.755	S	S	*	*			cis	-142.7	166.8	22.5	-53.5	104.9	0	0	0	112.1	H226	L224-H226 WeakPolarHBondContact CD2-NE2 3.18Å
225	A	36	Very low	33.4	Very low	75 Å²	75	128 Å²	128	62%	0.62	76%	0.756	S	S	*	*			cis	87.6	162.6	16.1	0	0	0	0	0	117.7	Y223	Y223-A225 HydrophobicContact CD1-CB 4.05Å; Y223-A225 HydrophobicContact CE1-CB 4.1Å
226	H	35.3	Very low	33.4	Very low	154 Å²	154	127.1 Å²	127.1	71%	0.713	76%	0.761	S	S	*	*			trans	98.9	151.6	-176.5	-59.9	-64.9	0	0	0	116.6	L224	L224-H226 WeakPolarHBondContact CD2-NE2 3.18Å
227	V	30.9	Very low	33.4	Very low	137 Å²	137	126.7 Å²	126.7	83%	0.83	77%	0.768	S	S	*	*			cis	-128.7	144.1	17.5	179.9	0	0	0	0	113.7
228	A	31.2	Very low	33.3	Very low	87 Å²	87	127.2 Å²	127.2	72%	0.719	77%	0.772	S	S	*	*			trans	-157.3	163.4	156.3	0	0	0	0	0	110.3
229	A	33.1	Very low	33.4	Very low	101 Å²	101	133.6 Å²	133.6	84%	0.835	78%	0.783	S	S	*	*			trans	70.7	159.3	-174.5	0	0	0	0	0	115
230	A	36.8	Very low	33.3	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	78%	0.782	S	S	*	*			cis	-133.4	178.9	9.4	0	0	0	0	0	112.1
231	S	34.1	Very low	33.2	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	79%	0.785	S	S	*	*				-158.2	169.8	67.9	-81.4	0	0	0	0	115.1
232	S	33.9	Very low	32.8	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	79%	0.786	S	S	*	*			trans	-99.7	-170.9	-177.2	61.2	0	0	0	0	111.5
233	R	34.7	Very low	32.8	Very low	235 Å²	235	133.1 Å²	133.1	89%	0.887	78%	0.784	S	S	*	*			cis	-170.7	-175.9	30.3	-144.8	173.4	-164.5	-169.3	6	111.8
234	Q	31.4	Very low	32.5	Very low	184 Å²	184	130 Å²	130	86%	0.86	79%	0.787	S	S	*	*			trans	92.5	173.1	168.7	-64.8	-169.9	-22.4	0	0	118.1
235	S	31.2	Very low	32.4	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	79%	0.794	S	S	*	*				-161.3	167.5	-120.8	54.6	0	0	0	0	116.2
236	Q	29.5	Very low	32	Very low	189 Å²	189	133.6 Å²	133.6	88%	0.883	79%	0.794	S	S	*	*			trans	103.1	146.1	162.4	-61.4	-170.8	-1.4	0	0	118.4
237	S	28.8	Very low	31.6	Very low	115 Å²	115	135 Å²	135	80%	0.804	80%	0.798	S	S	*	*			trans	-64.1	148.5	-168.3	48	0	0	0	0	118.2
238	A	26.9	Very low	31.4	Very low	104 Å²	104	139.4 Å²	139.4	86%	0.86	80%	0.8	S	S	*	*			trans	-155.2	158.6	136.5	0	0	0	0	0	111.2
239	Q	29.3	Very low	31.2	Very low	203 Å²	203	139 Å²	139	95%	0.949	80%	0.803	S	S	*	*			trans	-88.1	144.8	173.3	-63.1	163	-31.4	0	0	110.2
240	G	28.3	Very low	31	Very low	79 Å²	79	139.4 Å²	139.4	81%	0.814	80%	0.801	S	S	*	*			trans	-160.6	122.3	177.3	0	0	0	0	0	113.3
241	K	28.1	Very low	30.7	Very low	214 Å²	214	140.1 Å²	140.1	93%	0.93	80%	0.8	S	S	*	*			trans	-76.9	153.8	-175.8	-60.8	170	179.7	171.5	0	112.2
242	S	26.2	Very low	30.8	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	80%	0.799	S	S	*	*			trans	-75.7	178.9	155.4	66.5	0	0	0	0	110.1
243	P	51.6	Low	31.4	Very low	103 Å²	103	145.6 Å²	145.6	67%	0.669	80%	0.804	S	S	*	*			cis	-139.4	-166.2	6.5	36.4	-13.8	0	0	0	115.3
244	S	31.1	Very low	31.4	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	80%	0.8	S	S	*	*			trans	70.3	158.6	156.9	20.1	0	0	0	0	118.7
245	Q	31.6	Very low	31.4	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	80%	0.804	S	S	*	*			cis	-162.7	154.5	-26.7	-116.3	-170.9	0.5	0	0	110.1
246	V	27.9	Very low	31.6	Very low	101 Å²	101	150.7 Å²	150.7	61%	0.612	81%	0.813	S	S	*	*			trans	30.7	133.8	151.4	-161.9	0	0	0	0	121.8
247	F	27.2	Very low	32.6	Very low	184 Å²	184	146.9 Å²	146.9	81%	0.807	81%	0.805	S	S	*	*			trans	138.7	125.2	141	-85.9	-82.7	0	0	0	109.6
248	R	27.5	Very low	32.7	Very low	229 Å²	229	149 Å²	149	86%	0.864	80%	0.802	S	S	*	*			cis	93.4	82.3	21.9	-160.7	-164.8	-154.7	-148.2	7	114.7
249	G	26.4	Very low	33.1	Very low	77 Å²	77	154.5 Å²	154.5	79%	0.794	80%	0.801	S	S	*	*			trans	86	162.2	165.9	0	0	0	0	0	115.2
250	S	28.4	Very low	33.1	Very low	111 Å²	111	149.6 Å²	149.6	78%	0.776	79%	0.794	S	S	*	*			cis	-166.3	162.9	-10.3	-169.2	0	0	0	0	111
251	S	29.9	Very low	33.6	Very low	105 Å²	105	150.9 Å²	150.9	73%	0.734	79%	0.791	S	S	*	*			trans	78.9	130.1	150.5	-52.6	0	0	0	0	121.1
252	Y	37.1	Very low	33.8	Very low	213 Å²	213	146 Å²	146	84%	0.835	79%	0.791	S	S	*	*			trans	-54.8	161.8	165.2	-70.2	-94	0	0	0	114.6
253	P	47.2	Very low	34.1	Very low	127 Å²	127	144 Å²	144	83%	0.825	79%	0.788	S	S	*	*				-138.6	168.6	90.4	37.5	-23.6	0	0	0	116.4
254	N	34.7	Very low	33.1	Very low	151 Å²	151	148 Å²	148	81%	0.807	80%	0.802	S	S	*	*			trans	-68.9	155.5	-177.2	-75.1	-31.7	0	0	0	115.7
255	R	31	Very low	33.2	Very low	248 Å²	248	154.1 Å²	154.1	94%	0.936	81%	0.81	S	S	*	*			trans	-152.9	116.4	142.5	-113	-179.9	-171	-178.7	3.4	113.7
256	Y	35.5	Very low	33.4	Very low	226 Å²	226	155.7 Å²	155.7	89%	0.886	81%	0.808	S	S	*	*			trans	-94	169.3	148	-100.3	-74.7	0	0	0	107.1
257	P	50.1	Low	34.5	Very low	109 Å²	109	156.4 Å²	156.4	71%	0.708	82%	0.815	S	S	*	*			cis	-153.2	-166.4	45	44.9	-22.4	0	0	0	118
258	Q	31.6	Very low	34.8	Very low	160 Å²	160	154.5 Å²	154.5	75%	0.748	81%	0.808	S	S	*	*			trans	69.2	86.9	158.3	-63.2	-65	6	0	0	121.2
259	R	34.2	Very low	35.2	Very low	219 Å²	219	148.4 Å²	148.4	83%	0.826	81%	0.807	S	S	*	*				23.3	128.9	107	-165.2	-173.5	-157.7	171.8	7.4	119
260	A	30.5	Very low	35.4	Very low	99 Å²	99	148.4 Å²	148.4	82%	0.818	81%	0.807	S	S	*	*			trans	-141.5	160.5	148.8	0	0	0	0	0	109.7
261	S	37.5	Very low	35.5	Very low	106 Å²	106	149.4 Å²	149.4	74%	0.741	81%	0.814	S	S	*	*			trans	-153.9	133.5	-177.3	-54.3	0	0	0	0	111.9
262	A	32.2	Very low	35.8	Very low	112 Å²	112	148.4 Å²	148.4	93%	0.926	81%	0.812	S	S	*	*			trans	-158.6	155.2	168.8	0	0	0	0	0	110.4
263	G	33.2	Very low	35.6	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	81%	0.813	S	S	*	*			trans	-171.3	159.6	173.9	0	0	0	0	0	111.3
264	L	29.9	Very low	34.7	Very low	185 Å²	185	149.2 Å²	149.2	97%	0.969	81%	0.808	S	S	*	*			trans	-152.5	174.6	176.9	-137.8	68.5	0	0	0	111.4
265	R	33.4	Very low	34.7	Very low	232 Å²	232	151.8 Å²	151.8	88%	0.875	81%	0.806	S	S	*	*			trans	-128.7	142.9	-165.2	-68.8	173.8	162.4	-175.9	-5	114.4
266	R	35	Very low	34.9	Very low	207 Å²	207	148.1 Å²	148.1	78%	0.781	80%	0.8	S	S	*	*			trans	64	171.2	147.3	-93.2	-170.9	171.4	-148.2	-9.5	117.6	E268	R266-E268 IonicContact CZ-OE1 2.77Å; R266-E268 VanDerWaalsContact CZ-OE1 3.27Å; R266-E268 IonicContact NH1-OE1 2.74Å; R266-E268 PolarHBondContact NH1-OE1 3.16Å; R266-E268 IonicContact NH2-OE1 3.69Å; R266-E268 PolarHBondContact NH2-OE1 2.79Å
267	P	52.5	Low	35.7	Very low	116 Å²	116	142.4 Å²	142.4	75%	0.753	79%	0.79	S	S	*	*			cis	-128.8	-169.2	14.2	42	-23.9	0	0	0	118.5
268	E	33.7	Very low	35	Very low	144 Å²	144	141.2 Å²	141.2	67%	0.673	79%	0.785	S	S	*	*			trans	-46.4	172.5	174.3	-77.7	143	-156.2	0	0	117.9	R266	R266-E268 IonicContact CZ-OE1 2.77Å; R266-E268 VanDerWaalsContact CZ-OE1 3.27Å; R266-E268 IonicContact NH1-OE1 2.74Å; R266-E268 PolarHBondContact NH1-OE1 3.16Å; R266-E268 IonicContact NH2-OE1 3.69Å; R266-E268 PolarHBondContact NH2-OE1 2.79Å
269	A	35.2	Very low	35.2	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	79%	0.788	S	S	*	*			cis	-168.6	-176.9	-8.4	0	0	0	0	0	107.9
270	G	30.9	Very low	36.6	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	79%	0.785	S	S	*	*			cis	152.2	144.9	-4.8	0	0	0	0	0	111.8
271	S	30.2	Very low	36.7	Very low	133 Å²	133	136.4 Å²	136.4	93%	0.93	79%	0.787	S	S	*	*			trans	-160.7	171.3	178	-167.3	0	0	0	0	113.8
272	A	35.4	Very low	36.5	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	78%	0.783	S	S	*	*			trans	-151.6	-167.6	-172.4	0	0	0	0	0	114.1
273	I	33.2	Very low	38.1	Very low	167 Å²	167	135.4 Å²	135.4	86%	0.856	78%	0.78	S	S	*	*			trans	88.8	144.2	171.8	-56.3	168.5	0	0	0	115.5
274	R	29.3	Very low	38.2	Very low	190 Å²	190	135.9 Å²	135.9	72%	0.717	78%	0.778	S	S	*	*			cis	-178	131.5	-25.2	-179.8	-177.3	-170.3	-162.6	6.7	113.2
275	R	33.3	Very low	38.5	Very low	205 Å²	205	134.4 Å²	134.4	77%	0.774	77%	0.77	S	S	*	*			trans	64.2	133.6	155.6	-74.4	177.4	177.3	-170.3	-3.1	123.9
276	Q	36	Very low	38.4	Very low	171 Å²	171	129.7 Å²	129.7	80%	0.799	76%	0.762	S	S	*	*				31	154	126.6	-72.9	-93.9	-18.2	0	0	121.8
277	P	52.1	Low	38.1	Very low	106 Å²	106	131.2 Å²	131.2	69%	0.688	77%	0.767	S	S	*	*			cis	-155.5	173.2	41	44.3	-22.1	0	0	0	122.8
278	S	35	Very low	37	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	77%	0.765	S	S	*	*			trans	65.7	123.9	136.8	66.6	0	0	0	0	127.5
279	S	36.6	Very low	38.4	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	77%	0.771	S	S	*	*				71.9	164.5	126.9	-64.1	0	0	0	0	121.7
280	P	62.6	Low	39.3	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	77%	0.769	S	S	*	*			cis	-109.9	-157.1	-0.3	20.5	4.9	0	0	0	112
281	V	34.3	Very low	39.4	Very low	144 Å²	144	134 Å²	134	87%	0.873	77%	0.768	S	S	*	*			cis	-147.1	-159.3	13.3	-143.7	0	0	0	0	111.2
282	G	32.7	Very low	39.4	Very low	62 Å²	62	135.7 Å²	135.7	64%	0.639	76%	0.762	S	S	*	*			trans	-163.1	-163.1	173.7	0	0	0	0	0	111.7
283	P	66.4	Low	39.2	Very low	135 Å²	135	138 Å²	138	88%	0.877	77%	0.767	S	S	*	*			cis	-115.2	-149.2	7.2	31.9	-9.2	0	0	0	111.2
284	A	33.8	Very low	40.4	Very low	78 Å²	78	134.9 Å²	134.9	65%	0.645	76%	0.758	S	S	*	*			cis	-160.6	163.6	8.3	0	0	0	0	0	114.8
285	L	36.1	Very low	40.5	Very low	153 Å²	153	131.4 Å²	131.4	80%	0.801	76%	0.758	S	S	*	*			trans	24	137.3	137.1	-59.2	176.7	0	0	0	121
286	N	31.7	Very low	40.5	Very low	133 Å²	133	127.8 Å²	127.8	71%	0.711	76%	0.759	S	S	*	*			cis	-166	153.5	3	-142.9	-9.1	0	0	0	115.3
287	R	29.1	Very low	40.1	Very low	239 Å²	239	125.7 Å²	125.7	90%	0.902	76%	0.763	S	S	*	*			trans	65.1	167.9	154.4	-115.1	172	-179.4	146	0.6	121.7
288	A	28.6	Very low	39.4	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	77%	0.773	S	S	*	*			trans	-156.7	-173.4	-170.8	0	0	0	0	0	110
289	P	64.8	Low	39.1	Very low	122 Å²	122	131.5 Å²	131.5	79%	0.792	79%	0.785	S	S	*	*			cis	-105.3	-96.3	-25.8	20.2	3.5	0	0	0	111
290	P	54.2	Low	38.9	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	79%	0.789	S	S	*	*			cis	-112.8	-134	-3.5	43.5	-29	0	0	0	113.6
291	E	32.6	Very low	37.3	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	79%	0.794	S	S	*	*			trans	-148.8	175.2	-172.1	-164.7	-169.8	118.7	0	0	110.8
292	Q	29	Very low	37.2	Very low	169 Å²	169	131.3 Å²	131.3	79%	0.79	79%	0.785	S	S	*	*			trans	95.6	155.6	160.9	-56.3	-172.5	-1.1	0	0	121.3
293	T	32.7	Very low	37.2	Very low	131 Å²	131	137.9 Å²	137.9	80%	0.804	80%	0.796	S	S	*	*			trans	-104.7	-166.5	-172.6	58.2	0	0	0	0	110.8
294	P	57.2	Low	36.4	Very low	101 Å²	101	136.5 Å²	136.5	66%	0.656	79%	0.787	S	S	*	*			cis	-134.8	-173.3	-15.4	28.3	-3.9	0	0	0	115.2
295	T	31	Very low	36.5	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	80%	0.801	S	S	*	*			trans	62.7	112	145.7	41.2	0	0	0	0	124.1
296	T	34.7	Very low	36.3	Very low	129 Å²	129	148.4 Å²	148.4	79%	0.791	81%	0.805	S	S	*	*			trans	53.4	122.7	133.2	57.4	0	0	0	0	123.2
297	S	27.5	Very low	36.2	Very low	127 Å²	127	148.8 Å²	148.8	89%	0.888	81%	0.807	S	S	*	*				-168.9	174	118.4	40.6	0	0	0	0	112.7
298	Q	36.3	Very low	36.3	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	80%	0.8	S	S	*	*			trans	-81.4	155.6	-159.7	-58.7	155.1	-20.9	0	0	115.6
299	S	29.2	Very low	36.7	Very low	122 Å²	122	148.1 Å²	148.1	85%	0.853	80%	0.8	S	S	*	*			trans	-166.5	166.1	137.4	49.1	0	0	0	0	112.1
300	N	32.9	Very low	36	Very low	164 Å²	164	146.9 Å²	146.9	88%	0.877	79%	0.792	S	S	*	*			trans	-91	150.7	-164.4	-65.5	-39.8	0	0	0	115.3
301	S	28.7	Very low	34.8	Very low	126 Å²	126	146.4 Å²	146.4	88%	0.881	79%	0.792	S	S	*	*				-174.1	149.7	129.2	40.7	0	0	0	0	110.8
302	A	33	Very low	34.9	Very low	82 Å²	82	142.6 Å²	142.6	68%	0.678	78%	0.784	S	S	*	*			trans	-149.9	136.5	-176.1	0	0	0	0	0	113.6
303	F	32.7	Very low	35.1	Very low	201 Å²	201	145 Å²	145	88%	0.882	79%	0.787	S	S	*	*			trans	64	162.3	169.1	-64.7	-69.9	0	0	0	117.7
304	P	48.3	Very low	34.9	Very low	105 Å²	105	144.4 Å²	144.4	68%	0.682	79%	0.788	S	S	*	*			cis	-122.1	163.4	-1.2	38.8	-24.9	0	0	0	115.5
305	R	36.6	Very low	33.7	Very low	247 Å²	247	149 Å²	149	93%	0.932	79%	0.793	S	S	*	*			trans	-85.8	155.8	148.6	-76.3	-171.8	177	-166.5	0.5	108.9
306	R	30.6	Very low	34.5	Very low	234 Å²	234	149 Å²	149	88%	0.883	80%	0.795	S	S	*	*			trans	-140.1	140.1	174.9	-104.2	-172.5	176.9	-177.6	-0.4	112.4
307	D	30.5	Very low	34.4	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	78%	0.779	S	S	*	*			trans	-86.6	-169.1	165.3	-37.8	-89.1	0	0	0	109.2
308	W	30.8	Very low	34.5	Very low	200 Å²	200	151.4 Å²	151.4	76%	0.758	78%	0.776	S	S	*	*			cis	-159	162.5	9.7	-129.6	139.7	0	0	0	106.4	P310	W308-P310 HydrophobicContact CD2-CG 4.4Å; W308-P310 HydrophobicContact CE3-CG 4.23Å; W308-P310 HydrophobicContact CH2-CB 4.32Å; W308-P310 HydrophobicContact CH2-CG 4.07Å; W308-P310 HydrophobicContact CZ2-CG 4.28Å; W308-P310 HydrophobicContact CZ3-CB 4.13Å; W308-P310 HydrophobicContact CZ3-CG 4.05Å
309	P	37.9	Very low	34.2	Very low	110 Å²	110	151.2 Å²	151.2	71%	0.714	77%	0.773	S	S	*	*				-156.7	162.7	91.3	40.3	-21.9	0	0	0	117.7
310	P	48.7	Very low	35.7	Very low	96 Å²	96	151.2 Å²	151.2	62%	0.623	77%	0.77	S	S	*	*			trans	-124.1	139.9	158.8	36.9	-23.7	0	0	0	113.6	W308	W308-P310 HydrophobicContact CD2-CG 4.4Å; W308-P310 HydrophobicContact CE3-CG 4.23Å; W308-P310 HydrophobicContact CH2-CB 4.32Å; W308-P310 HydrophobicContact CH2-CG 4.07Å; W308-P310 HydrophobicContact CZ2-CG 4.28Å; W308-P310 HydrophobicContact CZ3-CB 4.13Å; W308-P310 HydrophobicContact CZ3-CG 4.05Å
311	S	30.6	Very low	35.5	Very low	114 Å²	114	147 Å²	147	80%	0.797	77%	0.765	S	S	*	*			trans	-166	149.8	171.6	48.6	0	0	0	0	110.8
312	S	33.3	Very low	35.5	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	76%	0.759	S	S	*	*			cis	-170.1	165.7	-11.1	45.3	0	0	0	0	111.8
313	Y	33.3	Very low	35.4	Very low	219 Å²	219	152.5 Å²	152.5	86%	0.859	77%	0.769	S	S	*	*			trans	73	150.8	169.4	-60.3	-71.7	0	0	0	117.6
314	S	28.5	Very low	35.3	Very low	118 Å²	118	154.3 Å²	154.3	83%	0.825	77%	0.77	S	S	*	*			cis	-137	156.1	13.1	17	0	0	0	0	115.8
315	R	31.8	Very low	35.3	Very low	197 Å²	197	155.1 Å²	155.1	74%	0.743	78%	0.775	S	S	*	*			trans	-80.8	-175	162.5	-109.8	-179.4	-179.6	-145	11	110.4	D317	R315-D317 WeakPolarHBondContact CD-OD1 3.33Å; R315-D317 IonicContact CZ-OD1 3.21Å; R315-D317 IonicContact CZ-OD2 3.72Å; R315-D317 IonicContact NE-OD1 3Å; R315-D317 PolarHBondContact NE-OD1 2.86Å; R315-D317 IonicContact NH1-OD1 3.96Å; R315-D317 PolarHBondContact NH1-OD1 2.91Å; R315-D317 IonicContact NH1-OD2 2.74Å; R315-D317 PolarHBondContact NH1-OD2 2.79Å
316	P	49.1	Very low	35.2	Very low	117 Å²	117	147 Å²	147	76%	0.76	76%	0.761	S	S	*	*			cis	-137.5	-164.9	19.2	27.5	-0.8	0	0	0	114.1
317	D	32.3	Very low	35.1	Very low	85 Å²	85	142.4 Å²	142.4	46%	0.455	75%	0.754	S	S	.	*			cis	-164.3	171.3	-44.5	-92.5	-27.8	0	0	0	111.1	R315	R315-D317 WeakPolarHBondContact CD-OD1 3.33Å; R315-D317 IonicContact CZ-OD1 3.21Å; R315-D317 IonicContact CZ-OD2 3.72Å; R315-D317 IonicContact NE-OD1 3Å; R315-D317 PolarHBondContact NE-OD1 2.86Å; R315-D317 IonicContact NH1-OD1 3.96Å; R315-D317 PolarHBondContact NH1-OD1 2.91Å; R315-D317 IonicContact NH1-OD2 2.74Å; R315-D317 PolarHBondContact NH1-OD2 2.79Å
318	W	28.7	Very low	35.3	Very low	223 Å²	223	141.5 Å²	141.5	85%	0.845	75%	0.753	S	S	*	*			trans	101.4	158.4	145.2	-124.2	-90.8	0	0	0	121.6
319	F	30.9	Very low	35.3	Very low	187 Å²	187	136.2 Å²	136.2	82%	0.82	75%	0.747	S	S	*	*			trans	-134.8	-166.8	-154	-88.3	-77.2	0	0	0	110.3
320	P	60.3	Low	35	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	76%	0.756	S	S	*	*			cis	-135.6	179.1	-43.7	35.7	-18.9	0	0	0	114.3
321	G	28.8	Very low	34	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	76%	0.761	S	S	*	*			trans	149.8	142.8	149	0	0	0	0	0	115.7
322	A	29.8	Very low	34	Very low	91 Å²	91	142.5 Å²	142.5	75%	0.752	76%	0.761	S	S	*	*			cis	-157.7	159.2	-9.2	0	0	0	0	0	113.1
323	R	29.4	Very low	34.9	Very low	233 Å²	233	143.4 Å²	143.4	88%	0.879	77%	0.765	S	S	*	*			trans	11.4	128	156	-55.1	176.5	-143.2	-137.7	3.6	119
324	R	30.3	Very low	34.8	Very low	238 Å²	238	139.8 Å²	139.8	90%	0.898	76%	0.761	S	S	*	*				66.1	156.2	63.4	-76.9	-165	-174.2	-172.2	3.6	115
325	P	49.1	Very low	34.9	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	76%	0.761	S	S	*	*			cis	-115.9	-153.3	-16.3	33.5	-12.1	0	0	0	109.5
326	A	34.5	Very low	34.7	Very low	77 Å²	77	133.1 Å²	133.1	64%	0.636	75%	0.754	S	S	*	*			cis	-177.4	166.4	26.1	0	0	0	0	0	105.5
327	D	29.2	Very low	33.8	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	76%	0.763	S	S	*	*			cis	-157.8	137.2	8.3	-114.7	-1.3	0	0	0	108.6
328	V	34.3	Very low	33.5	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	78%	0.777	S	S	*	*				79.3	130.9	95.2	157.2	0	0	0	0	113.5
329	S	30.4	Very low	33.6	Very low	89 Å²	89	141 Å²	141	62%	0.622	78%	0.783	S	S	*	*			cis	-174.1	146.5	2.1	47.6	0	0	0	0	115.1
330	Y	31.2	Very low	33.4	Very low	229 Å²	229	137.7 Å²	137.7	90%	0.898	78%	0.783	S	S	*	*			trans	57.7	158.9	139.1	-76.2	-109.5	0	0	0	120.2
331	A	28	Very low	31.8	Very low	89 Å²	89	140.3 Å²	140.3	74%	0.736	78%	0.784	S	S	*	*			cis	-148	-174.8	5.6	0	0	0	0	0	113.7
332	V	31.2	Very low	31.8	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	78%	0.782	S	S	*	*			trans	-145.2	137.8	-168.7	152.9	0	0	0	0	107.8
333	P	51.6	Low	31.7	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	79%	0.787	S	S	*	*				-160.1	168.3	84.4	44.5	-23.2	0	0	0	120.9
334	D	30.4	Very low	31.7	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	78%	0.783	S	S	*	*			trans	67.6	116.3	134.8	-65.7	-18	0	0	0	128.5
335	S	32.1	Very low	32.3	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	78%	0.777	S	S	*	*				39.4	138.2	122.4	78.2	0	0	0	0	126
336	G	27.3	Very low	31.2	Very low	58 Å²	58	138.9 Å²	138.9	60%	0.598	78%	0.779	S	S	*	*				135.1	133.5	123	0	0	0	0	0	119.9
337	Y	29.6	Very low	30.8	Very low	245 Å²	245	143.2 Å²	143.2	96%	0.961	79%	0.788	S	S	*	*			trans	63.1	161.3	160.4	-61.5	-87.1	0	0	0	117.7
338	A	26.9	Very low	31.1	Very low	89 Å²	89	142 Å²	142	74%	0.736	79%	0.788	S	S	*	*			cis	-160.7	-178.3	-25.8	0	0	0	0	0	110.6
339	W	29.4	Very low	30.8	Very low	257 Å²	257	140.8 Å²	140.8	97%	0.973	79%	0.79	S	S	*	*			trans	-88.6	151.6	-169.5	-62	85.9	0	0	0	116.6
340	S	27.5	Very low	30.6	Very low	117 Å²	117	148 Å²	148	82%	0.818	80%	0.804	S	S	*	*			trans	-166.2	169.6	137.6	58.2	0	0	0	0	112.5
341	E	28	Very low	30.4	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	80%	0.802	S	S	*	*			trans	-86.2	-175.3	-176.2	-60.2	163.8	119.8	0	0	111.5
342	T	27.7	Very low	30.4	Very low	119 Å²	119	148.7 Å²	148.7	73%	0.73	81%	0.81	S	S	*	*			cis	-163	176	24.1	-27.4	0	0	0	0	112.5
343	E	27.7	Very low	30.4	Very low	184 Å²	184	153.7 Å²	153.7	86%	0.86	81%	0.814	S	S	*	*			trans	81.6	139.5	155.4	-72	178.4	-175.6	0	0	121.6
344	T	30.4	Very low	29.6	Very low	130 Å²	130	154.6 Å²	154.6	80%	0.798	82%	0.82	S	S	*	*			trans	-124.3	159.5	177.2	54.7	0	0	0	0	109.6
345	P	41.2	Very low	29.8	Very low	119 Å²	119	155.5 Å²	155.5	77%	0.773	83%	0.825	S	S	*	*				-149	141.7	106.8	35	-17.5	0	0	0	117.5
346	E	26.8	Very low	30	Very low	177 Å²	177	155.7 Å²	155.7	83%	0.827	82%	0.815	S	S	*	*			trans	38.7	115.7	140.4	-55.2	-163.4	132.3	0	0	124.3
347	M	25.9	Very low	30.5	Very low	169 Å²	169	156.6 Å²	156.6	83%	0.833	81%	0.813	S	S	*	*				74.2	155.6	128.4	-65	-73	-88.5	0	0	121.3
348	P	35.7	Very low	30.8	Very low	113 Å²	113	152.8 Å²	152.8	73%	0.734	80%	0.804	S	S	*	*			cis	-120.9	175.5	-15.7	39.7	-25.8	0	0	0	113.8
349	A	27.1	Very low	31.4	Very low	95 Å²	95	154.5 Å²	154.5	79%	0.785	79%	0.792	S	S	*	*			trans	-82.4	162.6	-177.3	0	0	0	0	0	115.3
350	R	26.7	Very low	31.9	Very low	242 Å²	242	147.5 Å²	147.5	91%	0.913	77%	0.77	S	S	*	*			trans	-130.4	125.8	157.5	-92.8	-174.2	168.1	178.9	-2.9	109.4
351	D	26.7	Very low	32.5	Very low	162 Å²	162	152 Å²	152	87%	0.866	77%	0.769	S	S	*	*			trans	-69.2	135.6	175	-70.4	-57	0	0	0	112
352	L	28	Very low	33	Very low	170 Å²	170	152.4 Å²	152.4	89%	0.89	76%	0.763	S	S	*	*			trans	-117.6	116.3	159.6	-79.9	168	0	0	0	107.9
353	R	31.8	Very low	33.6	Very low	238 Å²	238	152 Å²	152	90%	0.898	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-67.8	135.4	170.9	-70	-177.2	177.4	-177.3	-1	109.3
354	P	36	Very low	34	Very low	125 Å²	125	153.3 Å²	153.3	81%	0.812	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62	149.1	165.3	-21.1	33.8	0	0	0	111.5
355	D	32.8	Very low	34.2	Very low	162 Å²	162	150.9 Å²	150.9	87%	0.866	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-78.9	157.3	-176.4	-151.6	-12.7	0	0	0	112.7	S357	D355-S357 PolarHBondContact O-N 2.9Å
356	I	36.1	Very low	33.8	Very low	121 Å²	121	155 Å²	155	62%	0.621	75%	0.749	S	S	*	*			trans	-84.8	113.2	-177.3	-61.6	176.3	0	0	0	109.8	E360	I356-E360 HydrophobicContact CG2-CB 4.09Å; I356-E360 HydrophobicContact CG2-CG 4.13Å; I356-E360 VanDerWaalsContact CG2-OE2 3.3Å; I356-E360 WeakPolarHBondContact CG2-OE2 3.33Å
357	S	38.8	Very low	33.9	Very low	78 Å²	78	149.9 Å²	149.9	55%	0.545	74%	0.743	S	S	.	*			trans	-65.8	150.1	179	74.7	0	0	0	0	112.9	D355 Y359 E360	D355-S357 PolarHBondContact O-N 2.9Å; S357-Y359 PolarHBondContact O-N 2.85Å; S357-E360 PolarHBondContact O-N 2.87Å
358	E	35.1	Very low	34.5	Very low	165 Å²	165	147.4 Å²	147.4	77%	0.771	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-16.9	-176.3	-57.8	-175.7	112.8	0	0	115.1	E360 R361	E358-E360 VanDerWaalsContact C-N 3.3Å; E358-E360 PolarHBondContact O-N 2.81Å; E358-R361 VanDerWaalsContact O-CB 3.31Å; E358-R361 WeakPolarHBondContact O-CB 3.4Å; E358-R361 PolarHBondContact O-N 2.86Å; E358-R361 VanDerWaalsContact O-N 3.07Å
359	Y	40.1	Very low	34.3	Very low	125 Å²	125	152.8 Å²	152.8	49%	0.49	75%	0.747	S	S	.	*	H	α-helix	trans	-52.7	-40.5	174.3	172.3	-110.4	0	0	0	113.7	S357 R361 L363	S357-Y359 PolarHBondContact O-N 2.85Å; Y359-R361 VanDerWaalsContact C-N 3.28Å; Y359-R361 PolarHBondContact O-N 2.92Å; Y359-L363 HydrophobicContact CE1-CD1 4.39Å
360	E	39.4	Very low	34.7	Very low	110 Å²	110	153.7 Å²	153.7	51%	0.514	75%	0.745	S	S	.	*	H	α-helix	trans	-71.4	-25.7	179.4	-63.5	-163.8	163.9	0	0	112.4	I356 S357 E358 W362 L363	I356-E360 HydrophobicContact CG2-CB 4.09Å; I356-E360 HydrophobicContact CG2-CG 4.13Å; I356-E360 VanDerWaalsContact CG2-OE2 3.3Å; I356-E360 WeakPolarHBondContact CG2-OE2 3.33Å; S357-E360 PolarHBondContact O-N 2.87Å; E358-E360 VanDerWaalsContact C-N 3.3Å; E358-E360 PolarHBondContact O-N 2.81Å; E360-W362 VanDerWaalsContact C-N 3.3Å; E360-W362 PolarHBondContact O-N 3.19Å; E360-L363 PolarHBondContact O-N 2.87Å
361	R	41.1	Very low	34.8	Very low	210 Å²	210	148.3 Å²	148.3	79%	0.792	74%	0.742	S	S	*	*	H	α-helix	trans	-71.9	-23.5	-177.9	-149.8	176	-164.8	169.1	5.8	113.1	E358 Y359	E358-R361 VanDerWaalsContact O-CB 3.31Å; E358-R361 WeakPolarHBondContact O-CB 3.4Å; E358-R361 PolarHBondContact O-N 2.86Å; E358-R361 VanDerWaalsContact O-N 3.07Å; Y359-R361 VanDerWaalsContact C-N 3.28Å; Y359-R361 PolarHBondContact O-N 2.92Å
362	W	38.4	Very low	34.9	Very low	186 Å²	186	151.9 Å²	151.9	71%	0.705	74%	0.743	S	S	*	*	H	α-helix	trans	-82.1	-25.1	177.6	-170	81	0	0	0	113.2	E360 Y364	E360-W362 VanDerWaalsContact C-N 3.3Å; E360-W362 PolarHBondContact O-N 3.19Å; W362-Y364 PolarHBondContact O-N 2.98Å
363	L	39.6	Very low	34.9	Very low	110 Å²	110	149.2 Å²	149.2	58%	0.576	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-17.3	-171.3	-116.9	159.4	0	0	0	114.3	Y359 E360	Y359-L363 HydrophobicContact CE1-CD1 4.39Å; E360-L363 PolarHBondContact O-N 2.87Å
364	Y	36.7	Very low	34.7	Very low	212 Å²	212	144 Å²	144	83%	0.831	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-8.8	-176.3	-85.3	-82.6	0	0	0	115.4	W362	W362-Y364 PolarHBondContact O-N 2.98Å
365	S	33.8	Very low	34.3	Very low	79 Å²	79	145 Å²	145	55%	0.552	73%	0.732	S	S	*	*	S	Bend	trans	-81.6	-23	-165.7	-61.1	0	0	0	0	116.1
366	F	32.9	Very low	34.2	Very low	206 Å²	206	144.2 Å²	144.2	90%	0.904	73%	0.727	S	S	*	*	S	Bend	trans	-144.4	101.5	-177.4	-74	-78.3	0	0	0	113.3
367	G	28.4	Very low	33.9	Very low	69 Å²	69	146.2 Å²	146.2	71%	0.711	74%	0.739	S	S	*	*			trans	-168.2	118.5	172.1	0	0	0	0	0	111	Y369	G367-Y369 PolarHBondContact O-N 2.73Å
368	P	40.2	Very low	33.3	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	75%	0.747	S	S	*	*			trans	-95.5	102.7	-165.7	34.1	-34	0	0	0	114.3
369	Y	30.3	Very low	32.9	Very low	226 Å²	226	142.9 Å²	142.9	89%	0.886	75%	0.745	S	S	*	*			trans	-145.4	148.1	152	-84.2	-69.6	0	0	0	110.2	G367	G367-Y369 PolarHBondContact O-N 2.73Å
370	P	34.9	Very low	32.4	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	77%	0.765	S	S	*	*			trans	-78.9	144.9	-165.9	30.9	-35.2	0	0	0	113.1
371	P	30.2	Very low	31.8	Very low	130 Å²	130	150.5 Å²	150.5	84%	0.844	78%	0.781	S	S	*	*			trans	-73.1	147.4	175.9	31.4	-34.9	0	0	0	111.5
372	R	28	Very low	31	Very low	237 Å²	237	149 Å²	149	89%	0.894	79%	0.786	S	S	*	*			trans	-108.6	143	162.8	-155.6	172.5	-171.7	176.9	2.1	108.5
373	S	27.3	Very low	31	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	79%	0.789	S	S	*	*			trans	-56	134.5	-164.4	49	0	0	0	0	115
374	T	28.8	Very low	30.6	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	80%	0.799	S	S	*	*			trans	-89.7	133.6	165.5	49.4	0	0	0	0	111.1
375	D	27.8	Very low	30	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	80%	0.8	S	S	*	*			trans	-155.1	149.3	153	-80.9	-49.7	0	0	0	106.1
376	L	29.8	Very low	29.9	Very low	144 Å²	144	150 Å²	150	75%	0.754	81%	0.812	S	S	*	*			cis	-177.7	118.7	-34.1	-125.3	175	0	0	0	103.9
377	D	29.9	Very low	30.3	Very low	164 Å²	164	145.9 Å²	145.9	88%	0.877	81%	0.806	S	S	*	*			trans	63.8	171.3	159.3	-142.1	-14.5	0	0	0	119.6
378	G	26.8	Very low	30.2	Very low	69 Å²	69	151.4 Å²	151.4	71%	0.711	81%	0.813	S	S	*	*			trans	120.9	64.2	170.4	0	0	0	0	0	116.5
379	S	27.2	Very low	29.6	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	81%	0.814	S	S	*	*			trans	-73.1	132.5	172	67.5	0	0	0	0	113.2
380	H	29.2	Very low	29.7	Very low	197 Å²	197	148.4 Å²	148.4	91%	0.912	81%	0.814	S	S	*	*			trans	-159.5	178.9	156.5	-103.2	-60.5	0	0	0	112.7
381	K	25.7	Very low	29.3	Very low	198 Å²	198	150.1 Å²	150.1	86%	0.861	82%	0.822	S	S	*	*			trans	-97.9	167.5	-161.7	-65.4	178.1	178.5	175.5	0	114.8
382	M	24.6	Very low	29.3	Very low	179 Å²	179	152.2 Å²	152.2	88%	0.882	82%	0.82	S	S	*	*			trans	-29.6	163.6	156	-81.8	-178.1	155.8	0	0	116.9
383	P	39	Very low	30.6	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	81%	0.81	S	S	*	*			cis	-138.9	-165.5	22.7	41.5	-22	0	0	0	116.2
384	L	31.1	Very low	30.7	Very low	151 Å²	151	146.1 Å²	146.1	79%	0.791	81%	0.806	S	S	*	*			trans	-73	146	164.5	-62.4	81.9	0	0	0	111.6
385	H	25.2	Very low	30.9	Very low	186 Å²	186	147.2 Å²	147.2	86%	0.861	81%	0.807	S	S	*	*				-170.7	156.9	120.2	-117.2	-86.6	0	0	0	114.1
386	L	30.3	Very low	30.9	Very low	151 Å²	151	144.4 Å²	144.4	79%	0.791	81%	0.805	S	S	*	*			trans	-72.8	156.4	164.2	-84.8	87.6	0	0	0	110.9
387	P	41.2	Very low	30.7	Very low	119 Å²	119	148.5 Å²	148.5	77%	0.773	81%	0.81	S	S	*	*				-150.4	-168.9	84.9	41.2	-21.2	0	0	0	116.6
388	Q	27.3	Very low	30.6	Very low	186 Å²	186	148.8 Å²	148.8	87%	0.869	80%	0.804	S	S	*	*			trans	-86.9	171.1	-176.5	-45.7	123.8	-65.3	0	0	113.1
389	G	26.6	Very low	30.7	Very low	76 Å²	76	153.5 Å²	153.5	78%	0.784	81%	0.807	S	S	*	*			trans	160.1	120.4	151.4	0	0	0	0	0	116.8
390	K	32.2	Very low	30.8	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	80%	0.804	S	S	*	*			trans	-66.7	161.5	166.6	-59.7	173.9	172.3	-174.9	0	111.8
391	V	26.6	Very low	30.8	Very low	148 Å²	148	149.5 Å²	149.5	90%	0.897	80%	0.798	S	S	*	*				-158.9	158.1	121.9	145.2	0	0	0	0	109.2
392	E	31	Very low	30.9	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	80%	0.796	S	S	*	*			trans	-96.5	-152.5	-176.6	-124.1	179.1	177.3	0	0	110.2
393	P	55	Low	32.2	Very low	105 Å²	105	143.6 Å²	143.6	68%	0.682	78%	0.784	S	S	*	*			cis	-133	-171.9	-17.5	22.8	2.8	0	0	0	114.8
394	V	30.6	Very low	31.6	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.715	79%	0.785	S	S	*	*				143.7	103.9	127.8	174.6	0	0	0	0	114.5
395	D	31.2	Very low	31.4	Very low	152 Å²	152	148.2 Å²	148.2	81%	0.813	79%	0.785	S	S	*	*			trans	29	130.7	141.4	-54.1	-46.9	0	0	0	124.5
396	A	28.9	Very low	31.7	Very low	88 Å²	88	144.7 Å²	144.7	73%	0.727	78%	0.781	S	S	*	*				-164.4	110.7	122.7	0	0	0	0	0	114
397	W	26	Very low	31.6	Very low	229 Å²	229	141 Å²	141	87%	0.867	78%	0.779	S	S	*	*			trans	41.5	115	150.4	-56.3	81.3	0	0	0	120.4
398	K	26.6	Very low	31.1	Very low	170 Å²	170	145.2 Å²	145.2	74%	0.739	79%	0.786	S	S	*	*				63	137.3	74.2	-70.1	-165.7	174.9	-171	0	114.2
399	Q	28.9	Very low	31.2	Very low	168 Å²	168	141.5 Å²	141.5	79%	0.785	78%	0.78	S	S	*	*			cis	-146	170	24.2	-70.2	-174.1	-103.4	0	0	112
400	D	28.7	Very low	31.9	Very low	123 Å²	123	145.8 Å²	145.8	66%	0.658	78%	0.784	S	S	*	*			cis	-155.4	-73.5	-26	-91.1	-18.9	0	0	0	113.4
401	A	29.3	Very low	31.9	Very low	95 Å²	95	147.7 Å²	147.7	79%	0.785	79%	0.786	S	S	*	*			trans	-144.3	134.1	-158.6	0	0	0	0	0	120.2
402	N	29.1	Very low	32.3	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	78%	0.784	S	S	*	*				32.8	160.4	129.3	-98.5	8.9	0	0	0	123.7
403	P	50.8	Low	32.7	Very low	98 Å²	98	147.2 Å²	147.2	64%	0.636	79%	0.785	S	S	*	*			cis	-140	-160.9	-43.6	34.3	-11.1	0	0	0	113.5
404	Y	27.6	Very low	31.8	Very low	198 Å²	198	150.9 Å²	150.9	78%	0.776	79%	0.793	S	S	*	*			trans	105.9	134.9	166	-90.1	-101.6	0	0	0	120.9
405	E	26.6	Very low	32.4	Very low	169 Å²	169	151.2 Å²	151.2	79%	0.79	80%	0.797	S	S	*	*			trans	56.3	148	155.3	-83.2	169.7	-154.3	0	0	121
406	S	30.5	Very low	33	Very low	113 Å²	113	151.6 Å²	151.6	79%	0.79	80%	0.799	S	S	*	*			cis	-160.6	169.5	-2.8	52.5	0	0	0	0	111.2
407	G	29	Very low	33.8	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	80%	0.803	S	S	*	*			trans	110.7	131.4	150.3	0	0	0	0	0	119.7
408	F	31.3	Very low	34.9	Very low	209 Å²	209	152.4 Å²	152.4	92%	0.917	80%	0.799	S	S	*	*			trans	-40.9	155.3	165.6	-72.4	-110.6	0	0	0	114.5
409	S	29.4	Very low	35.9	Very low	107 Å²	107	148 Å²	148	75%	0.748	79%	0.794	S	S	*	*			cis	-165.6	178.8	36.8	-151.6	0	0	0	0	115
410	L	41.7	Very low	36.6	Very low	166 Å²	166	145.9 Å²	145.9	87%	0.869	80%	0.795	S	S	*	*			trans	-45	132.4	-173	-64	163.6	0	0	0	118.4
411	R	31.2	Very low	37.5	Very low	246 Å²	246	147 Å²	147	93%	0.928	80%	0.796	S	S	*	*			trans	-146	150.6	141.4	-94.4	-172.3	177.3	174.4	-0.6	110.1
412	E	35.4	Very low	38.6	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.4	176.9	-66.3	172	109.3	0	0	111.6
413	P	38.9	Very low	39.9	Very low	127 Å²	127	146.1 Å²	146.1	83%	0.825	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73	125.1	171.6	-11.9	28	0	0	0	111
414	E	35.3	Very low	40.3	Very low	182 Å²	182	145 Å²	145	85%	0.85	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64.9	139.8	168.4	-70	-170.8	124.6	0	0	110.7	L416	E414-L416 PolarHBondContact O-N 2.98Å
415	P	44.7	Very low	42.1	Very low	124 Å²	124	138 Å²	138	81%	0.805	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.6	130.8	173.9	28.9	-33.3	0	0	0	110.4
416	L	42.8	Very low	44.1	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-52.6	146.7	179.4	-72.8	168.3	0	0	0	112.5	E414 R418	E414-L416 PolarHBondContact O-N 2.98Å; L416-R418 PolarHBondContact O-N 3Å; L416-R418 VanDerWaalsContact O-N 3.09Å
417	P	46.1	Very low	46.2	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-55.4	118.2	179.1	-24.8	34	0	0	0	111.5	A419	P417-A419 PolarHBondContact O-N 2.82Å
418	R	49.2	Very low	48.7	Very low	209 Å²	209	131.1 Å²	131.1	79%	0.789	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.9	127.6	173.9	-168.3	178.7	-60.8	-170.6	2.8	108.3	L416	L416-R418 PolarHBondContact O-N 3Å; L416-R418 VanDerWaalsContact O-N 3.09Å
419	A	47.8	Very low	50.9	Low	76 Å²	76	125.3 Å²	125.3	63%	0.628	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-53.3	142.7	175	0	0	0	0	0	110.4	P417 E421	P417-A419 PolarHBondContact O-N 2.82Å; A419-E421 PolarHBondContact O-N 2.8Å
420	P	44.5	Very low	53.5	Low	125 Å²	125	126.5 Å²	126.5	81%	0.812	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.1	124	-179.6	24.1	-33.5	0	0	0	109.6
421	E	46.7	Very low	55.7	Low	146 Å²	146	118.6 Å²	118.6	68%	0.682	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.4	179.7	-64.3	-170.1	175.1	0	0	109.7	A419	A419-E421 PolarHBondContact O-N 2.8Å
422	P	52.5	Low	58.5	Low	106 Å²	106	112 Å²	112	69%	0.688	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-58.5	141.8	178.2	25.5	-34.4	0	0	0	109.5	A424	P422-A424 PolarHBondContact O-N 3.33Å
423	P	55.8	Low	61.2	Low	124 Å²	124	103.2 Å²	103.2	81%	0.805	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.6	-171	20.7	-33	0	0	0	110.7	S425	P423-S425 PolarHBondContact O-N 2.78Å
424	A	59.9	Low	63.9	Low	76 Å²	76	97.1 Å²	97.1	63%	0.628	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-55.5	123.8	-176.9	0	0	0	0	0	109.8	P422 Q426	P422-A424 PolarHBondContact O-N 3.33Å; A424-Q426 WeakPolarHBondContact O-CG 3.39Å; A424-Q426 PolarHBondContact O-N 3.42Å; A424-Q426 VanDerWaalsContact O-N 3.08Å
425	S	64.2	Low	66.7	Low	51 Å²	51	88.6 Å²	88.6	36%	0.357	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57	117	-175.9	-176	0	0	0	0	110.2	P423 G427 N465	P423-S425 PolarHBondContact O-N 2.78Å; S425-G427 PolarHBondContact O-N 2.03Å; S425-N465 WeakPolarHBondContact CB-OD1 3.46Å; S425-N465 PolarHBondContact OG-ND2 2.94Å; S425-N465 PolarHBondContact OG-OD1 2.94Å
426	Q	68.8	Low	69.2	Low	142 Å²	142	82.7 Å²	82.7	66%	0.664	47%	0.469	S	S	*	.			trans	-81.2	3.6	-178.5	-57.6	-172.9	0.4	0	0	112.6	A424 G467 M468 A469 G470	A424-Q426 WeakPolarHBondContact O-CG 3.39Å; A424-Q426 PolarHBondContact O-N 3.42Å; A424-Q426 VanDerWaalsContact O-N 3.08Å; Q426-G467 CarbonylContact O-C 3.44Å; Q426-G467 WeakPolarHBondContact O-CA 3.29Å; Q426-M468 PolarHBondContact O-N 3.16Å; Q426-A469 HydrophobicContact CB-CB 4.05Å; Q426-A469 WeakPolarHBondContact O-CB 3.35Å; Q426-A469 PolarHBondContact O-N 3.03Å; Q426-G470 PolarHBondContact O-N 3.3Å
427	G	75.3	Confident	71.8	Confident	9 Å²	9	75 Å²	75	9%	0.093	43%	0.429	C	S	.	.			trans	93.5	162.5	-176.6	0	0	0	0	0	113.6	S425 P429 N465	S425-G427 PolarHBondContact O-N 2.03Å; G427-P429 VanDerWaalsContact O-CD 3.32Å; G427-P429 WeakPolarHBondContact O-CD 3.37Å; G427-N465 WeakPolarHBondContact CA-O 3.2Å
428	D	80.5	Confident	74.3	Confident	57 Å²	57	69 Å²	69	31%	0.305	39%	0.391	S	S	.	.			trans	-74	112.1	176.6	177.9	8.6	0	0	0	111	N430 C431 N465 G470	D428-N430 PolarHBondContact O-N 3.41Å; D428-N430 VanDerWaalsContact O-N 3.15Å; D428-N430 WeakPolarHBondContact OD1-CB 3.27Å; D428-N430 PolarHBondContact OD1-N 3.25Å; D428-N430 PolarHBondContact OD1-ND2 2.9Å; D428-C431 HydrophobicContact CB-CB 4.43Å; D428-C431 PolarHBondContact O-N 2.98Å; D428-C431 VanDerWaalsContact O-N 3.1Å; D428-N465 PolarHBondContact N-ND2 2.73Å; D428-G470 WeakPolarHBondContact O-CA 3.32Å
429	P	77.9	Confident	76.6	Confident	87 Å²	87	59.1 Å²	59.1	57%	0.565	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.2	-177.7	28.5	-35.9	0	0	0	113.2	G427	G427-P429 VanDerWaalsContact O-CD 3.32Å; G427-P429 WeakPolarHBondContact O-CD 3.37Å
430	N	83.4	Confident	78.8	Confident	132 Å²	132	55.5 Å²	55.5	71%	0.706	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.9	178.1	-52.8	-62.4	0	0	0	111.7	D428 K432	D428-N430 PolarHBondContact O-N 3.41Å; D428-N430 VanDerWaalsContact O-N 3.15Å; D428-N430 WeakPolarHBondContact OD1-CB 3.27Å; D428-N430 PolarHBondContact OD1-N 3.25Å; D428-N430 PolarHBondContact OD1-ND2 2.9Å; N430-K432 PolarHBondContact O-N 3.32Å
431	C	88.8	Confident	81.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	29%	0.285	C	S	.	.	S	Bend	trans	-98.7	59.6	177.9	-173.1	0	0	0	0	111.5	D428 V433 G470 P471 C620	D428-C431 HydrophobicContact CB-CB 4.43Å; D428-C431 PolarHBondContact O-N 2.98Å; D428-C431 VanDerWaalsContact O-N 3.1Å; C431-V433 PolarHBondContact O-N 3.48Å; C431-G470 CarbonylContact O-C 3.58Å; C431-P471 HydrophobicContact CB-CG 4.33Å; C431-P471 VanDerWaalsContact O-CA 3.29Å; C431-P471 WeakPolarHBondContact O-CA 3.44Å; C431-P471 VanDerWaalsContact O-CB 3.27Å; C431-P471 WeakPolarHBondContact O-CB 3.42Å; C431-P471 VanDerWaalsContact O-CD 3.3Å; C431-P471 WeakPolarHBondContact O-CD 3.43Å; C431-P471 VanDerWaalsContact O-N 3.08Å; C431-C620 HydrophobicContact CB-CB 3.75Å; C431-C620 WeakPolarHBondContact CB-SG 3.07Å; C431-C620 WeakPolarHBondContact SG-CA 3.41Å; C431-C620 WeakPolarHBondContact SG-CB 3.47Å; C431-C620 CovalentContact SG-SG 2.03Å; C431-C620 PolarHBondContact SG-SG 2.95Å
432	K	90.3	Very high	83.5	Confident	107 Å²	107	42.7 Å²	42.7	47%	0.465	25%	0.253	S	S	.	.			trans	-84.1	74.5	-173.7	-164.8	-177.2	-179.3	-178.4	0	113.2	N430 A535 P536	N430-K432 PolarHBondContact O-N 3.32Å; K432-A535 WeakPolarHBondContact O-CB 3.47Å; K432-P536 WeakPolarHBondContact O-CD 3.4Å
433	V	92.7	Very high	85.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.			trans	-126.7	154.6	-175.8	-75	0	0	0	0	113	C431 L435 P471 M472 R532 P536 V619 T622 L625	C431-V433 PolarHBondContact O-N 3.48Å; V433-L435 HydrophobicContact CB-CD1 4.04Å; V433-L435 HydrophobicContact CG2-CD1 3.44Å; V433-L435 VanDerWaalsContact CG2-CD1 3.44Å; V433-P471 HydrophobicContact CG2-CB 4.03Å; V433-P471 WeakPolarHBondContact O-CA 3.12Å; V433-M472 PolarHBondContact O-N 2.63Å; V433-R532 PolarHBondContact O-NH2 2.81Å; V433-P536 HydrophobicContact CG1-CB 4.04Å; V433-P536 HydrophobicContact CG1-CG 4.05Å; V433-V619 HydrophobicContact CG2-CG1 4.23Å; V433-T622 HydrophobicContact CG1-CG2 4.11Å; V433-L625 HydrophobicContact CG1-CD1 3.93Å
434	D	94.1	Very high	86.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	101	179.3	-76.2	23.9	0	0	0	109.4	M472 L488 F525 N531 R532 A535 P536 V538	D434-M472 WeakPolarHBondContact OD1-CE 3.38Å; D434-M472 WeakPolarHBondContact OD2-CE 3.48Å; D434-L488 HydrophobicContact CB-CD1 4.28Å; D434-L488 HydrophobicContact CB-CD2 4.45Å; D434-F525 HydrophobicContact CB-CE1 4.43Å; D434-F525 WeakPolarHBondContact O-CE1 3.06Å; D434-N531 WeakPolarHBondContact OD2-CA 3.37Å; D434-N531 PolarHBondContact OD2-ND2 2.9Å; D434-R532 IonicContact OD1-CZ 3.66Å; D434-R532 IonicContact OD1-NE 3.45Å; D434-R532 PolarHBondContact OD1-NE 3.33Å; D434-R532 IonicContact OD1-NH2 2.66Å; D434-R532 PolarHBondContact OD1-NH2 3.37Å; D434-R532 PolarHBondContact OD2-N 3.05Å; D434-A535 WeakPolarHBondContact OD1-CB 3.04Å; D434-P536 PolarHBondContact N-O 2.86Å; D434-V538 PolarHBondContact O-N 3.08Å
435	L	95.4	Very high	88.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.6	-175.6	-69.9	77.1	0	0	0	111.9	V433 F437 I464 P471 M472 G474 L488 V538 V619	V433-L435 HydrophobicContact CB-CD1 4.04Å; V433-L435 HydrophobicContact CG2-CD1 3.44Å; V433-L435 VanDerWaalsContact CG2-CD1 3.44Å; L435-F437 HydrophobicContact CB-CD2 4.48Å; L435-F437 HydrophobicContact CB-CE2 4.15Å; L435-F437 HydrophobicContact CD2-CE2 3.59Å; L435-F437 HydrophobicContact CD2-CZ 4Å; L435-I464 HydrophobicContact CD1-CD1 4.04Å; L435-I464 HydrophobicContact CD2-CD1 3.66Å; L435-P471 HydrophobicContact CD1-CB 4.23Å; L435-M472 PolarHBondContact N-O 2.7Å; L435-G474 PolarHBondContact O-N 2.73Å; L435-L488 WeakPolarHBondContact O-CD2 3.44Å; L435-V538 CarbonylContact C-O 3.54Å; L435-V538 WeakPolarHBondContact CA-O 3.48Å; L435-V619 HydrophobicContact CD1-CG1 3.96Å; L435-V619 HydrophobicContact CD2-CG1 3.73Å; L435-V619 HydrophobicContact CG-CG1 3.78Å
436	A	96.9	Very high	89.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115	163.6	0	0	0	0	0	109.7	I476 Y524 F525 V538 A539 V540	A436-I476 HydrophobicContact CB-CD1 4.38Å; A436-Y524 HydrophobicContact CB-CD1 3.77Å; A436-Y524 HydrophobicContact CB-CE1 3.64Å; A436-F525 HydrophobicContact CB-CE1 4.26Å; A436-F525 HydrophobicContact CB-CE2 4.03Å; A436-F525 HydrophobicContact CB-CZ 3.55Å; A436-V538 PolarHBondContact N-O 3.42Å; A436-A539 CarbonylContact O-C 3.39Å; A436-A539 WeakPolarHBondContact O-CA 3.36Å; A436-V540 PolarHBondContact O-N 3.49Å
437	F	97.9	Very high	90.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.6	171.5	-77.6	-93.8	0	0	0	110.4	L435 F456 L457 V460 M473 G474 I476 V540 L615	L435-F437 HydrophobicContact CB-CD2 4.48Å; L435-F437 HydrophobicContact CB-CE2 4.15Å; L435-F437 HydrophobicContact CD2-CE2 3.59Å; L435-F437 HydrophobicContact CD2-CZ 4Å; F437-F456 HydrophobicContact CE1-CE1 4.39Å; F437-L457 HydrophobicContact CB-CD2 3.62Å; F437-L457 HydrophobicContact CD1-CD2 3.22Å; F437-L457 HydrophobicContact CD2-CD2 4.1Å; F437-L457 HydrophobicContact CE1-CD2 3.87Å; F437-L457 HydrophobicContact CG-CD2 3.36Å; F437-V460 HydrophobicContact CE2-CG1 4.34Å; F437-V460 HydrophobicContact CZ-CG1 3.82Å; F437-M473 HydrophobicContact CD2-CE 3.57Å; F437-M473 HydrophobicContact CD2-CG 3.95Å; F437-M473 HydrophobicContact CD2-SD 4.08Å; F437-M473 HydrophobicContact CE2-CE 3.71Å; F437-M473 HydrophobicContact CE2-CG 4.05Å; F437-M473 HydrophobicContact CE2-SD 3.79Å; F437-M473 HydrophobicContact CG-CE 4.26Å; F437-M473 HydrophobicContact CZ-CE 4.49Å; F437-G474 PolarHBondContact N-O 2.95Å; F437-I476 PolarHBondContact O-N 3.48Å; F437-V540 CarbonylContact C-O 3.55Å; F437-V540 WeakPolarHBondContact CA-O 3.45Å; F437-V540 HydrophobicContact CD1-CB 3.68Å; F437-V540 HydrophobicContact CD1-CG1 3.92Å; F437-V540 HydrophobicContact CD1-CG2 4.46Å; F437-V540 HydrophobicContact CE1-CB 3.58Å; F437-V540 HydrophobicContact CE1-CG1 3.58Å; F437-V540 HydrophobicContact CE1-CG2 3.99Å; F437-V540 HydrophobicContact CG-CB 4.33Å; F437-V540 HydrophobicContact CZ-CB 4.13Å; F437-V540 HydrophobicContact CZ-CG1 4.4Å; F437-V540 HydrophobicContact CZ-CG2 4.04Å; F437-L615 HydrophobicContact CE1-CD2 3.88Å; F437-L615 HydrophobicContact CZ-CD2 4.02Å
438	L	97.6	Very high	91.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	100	165.2	-58.9	-170.6	0	0	0	107.4	I476 Y478 A516 L517 I520 V540 V541 L542	L438-I476 WeakPolarHBondContact CA-O 3.47Å; L438-I476 HydrophobicContact CD2-CB 3.77Å; L438-I476 HydrophobicContact CD2-CD1 3.79Å; L438-I476 HydrophobicContact CD2-CG1 4.38Å; L438-I476 HydrophobicContact CD2-CG2 4.01Å; L438-Y478 HydrophobicContact CB-CD1 4Å; L438-Y478 HydrophobicContact CB-CE1 4.23Å; L438-A516 HydrophobicContact CD1-CB 3.75Å; L438-A516 HydrophobicContact CD2-CB 4.3Å; L438-L517 HydrophobicContact CD1-CD2 3.73Å; L438-L517 HydrophobicContact CD1-CG 4.09Å; L438-I520 HydrophobicContact CD1-CD1 4.47Å; L438-I520 HydrophobicContact CD2-CG2 3.78Å; L438-V540 PolarHBondContact N-O 3.28Å; L438-V541 HydrophobicContact CB-CG1 4.25Å; L438-V541 HydrophobicContact CB-CG2 4.45Å; L438-V541 HydrophobicContact CD1-CG2 4.07Å; L438-L542 PolarHBondContact O-N 3.19Å
439	M	96.5	Very high	92.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.2	178.1	73.3	175.8	-66.3	0	0	110.8	G441 F450 Q453 K454 L457 I475 I476 Q477 Y478 I504 L542	M439-G441 PolarHBondContact O-N 3.42Å; M439-F450 HydrophobicContact CE-CD2 4.07Å; M439-F450 HydrophobicContact CE-CE2 3.44Å; M439-F450 VanDerWaalsContact CE-CE2 3.44Å; M439-F450 HydrophobicContact CE-CZ 3.71Å; M439-Q453 HydrophobicContact CE-CB 4.27Å; M439-K454 HydrophobicContact CE-CG 3.94Å; M439-L457 HydrophobicContact CB-CD1 4Å; M439-L457 HydrophobicContact CE-CD1 4.1Å; M439-L457 HydrophobicContact CG-CD1 4.47Å; M439-L457 HydrophobicContact SD-CD1 3.77Å; M439-I475 HydrophobicContact CG-CG2 4.06Å; M439-I475 HydrophobicContact SD-CG2 3.6Å; M439-I476 PolarHBondContact N-O 2.84Å; M439-Q477 HydrophobicContact CG-CB 4.09Å; M439-Q477 HydrophobicContact CG-CG 4.42Å; M439-Q477 WeakPolarHBondContact O-CA 3.16Å; M439-Y478 VanDerWaalsContact C-CE1 3.49Å; M439-Y478 WeakPolarHBondContact O-CD1 3.17Å; M439-Y478 PolarHBondContact O-N 3.13Å; M439-I504 HydrophobicContact SD-CD1 4.3Å; M439-I504 HydrophobicContact SD-CG2 4.31Å; M439-L542 HydrophobicContact CB-CD1 4.42Å
440	D	95.1	Very high	93.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.4	-178.4	-163.9	-34.3	0	0	0	109.4	S442 I445 Q453 Y478 S511	D440-S442 WeakPolarHBondContact OD1-CA 3.19Å; D440-S442 WeakPolarHBondContact OD1-CB 3.33Å; D440-S442 PolarHBondContact OD1-N 3.13Å; D440-S442 PolarHBondContact OD1-OG 3.43Å; D440-S442 PolarHBondContact OD2-OG 3.06Å; D440-I445 HydrophobicContact CB-CD1 4.44Å; D440-I445 WeakPolarHBondContact O-CD1 3.32Å; D440-Q453 PolarHBondContact O-NE2 3.16Å; D440-Y478 HydrophobicContact CB-CE1 3.95Å; D440-Y478 PolarHBondContact OD2-OH 2.85Å; D440-S511 PolarHBondContact OD2-OG 3.31Å
441	G	95.3	Very high	93.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.201	C	C	.	.			trans	-112.2	8.7	175.7	0	0	0	0	0	113.8	M439 Q477 Y478 G508	M439-G441 PolarHBondContact O-N 3.42Å; G441-Q477 VanDerWaalsContact CA-OE1 3.28Å; G441-Y478 CarbonylContact C-O 3.6Å; G441-Y478 WeakPolarHBondContact CA-O 3.35Å; G441-Y478 PolarHBondContact N-O 3.22Å; G441-G508 PolarHBondContact O-N 3.33Å; G441-G508 VanDerWaalsContact O-N 3.12Å
442	S	94.1	Very high	94.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	21%	0.211	C	C	.	.	S	Bend	trans	-65.7	172.7	178.7	73	0	0	0	0	112.3	D440 S444 Q506 G509	D440-S442 WeakPolarHBondContact OD1-CA 3.19Å; D440-S442 WeakPolarHBondContact OD1-CB 3.33Å; D440-S442 PolarHBondContact OD1-N 3.13Å; D440-S442 PolarHBondContact OD1-OG 3.43Å; D440-S442 PolarHBondContact OD2-OG 3.06Å; S442-S444 PolarHBondContact OG-OG 2.68Å; S442-Q506 PolarHBondContact O-NE2 3.06Å; S442-G509 WeakPolarHBondContact CA-O 3.26Å; S442-G509 WeakPolarHBondContact CB-O 3.39Å
443	W	90.8	Very high	94.4	Very high	154 Å²	154	41.3 Å²	41.3	58%	0.583	19%	0.189	S	C	*	.	S	Bend	trans	-82.4	-21.9	-176.6	-72.1	169.7	0	0	0	115.2	I445 G446 Q506 K507 G508 G509	W443-I445 PolarHBondContact O-N 2.97Å; W443-G446 PolarHBondContact O-N 2.92Å; W443-Q506 HydrophobicContact CE3-CG 4.38Å; W443-Q506 HydrophobicContact CZ3-CB 4.46Å; W443-Q506 HydrophobicContact CZ3-CG 3.97Å; W443-K507 VanDerWaalsContact CH2-C 3.46Å; W443-K507 VanDerWaalsContact CH2-O 3.26Å; W443-K507 WeakPolarHBondContact CH2-O 3.45Å; W443-G508 VanDerWaalsContact CH2-CA 3.42Å; W443-G508 VanDerWaalsContact CZ3-CA 3.46Å; W443-G508 VanDerWaalsContact CZ3-N 3.33Å; W443-G509 PolarHBondContact N-O 3.13Å
444	S	87.7	Confident	94.6	Very high	84 Å²	84	42.1 Å²	42.1	59%	0.587	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-44.8	-176	52.8	0	0	0	0	112.9	S442 G446	S442-S444 PolarHBondContact OG-OG 2.68Å; S444-G446 VanDerWaalsContact C-N 3.29Å; S444-G446 PolarHBondContact O-N 2.71Å
445	I	90.6	Very high	94.7	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.1	-178	70.7	179.1	0	0	0	112.8	D440 W443 R449 F450 D544 W605	D440-I445 HydrophobicContact CB-CD1 4.44Å; D440-I445 WeakPolarHBondContact O-CD1 3.32Å; W443-I445 PolarHBondContact O-N 2.97Å; I445-R449 HydrophobicContact CB-CB 4.02Å; I445-R449 VanDerWaalsContact O-CB 3.24Å; I445-R449 WeakPolarHBondContact O-CB 3.47Å; I445-R449 VanDerWaalsContact O-CD 3.26Å; I445-R449 WeakPolarHBondContact O-CD 3.49Å; I445-R449 WeakPolarHBondContact O-CG 3.19Å; I445-F450 HydrophobicContact CD1-CB 3.97Å; I445-F450 HydrophobicContact CD1-CD2 3.82Å; I445-F450 HydrophobicContact CD1-CG 4.41Å; I445-D544 HydrophobicContact CG2-CB 3.7Å; I445-D544 WeakPolarHBondContact CG2-OD2 3.42Å; I445-W605 HydrophobicContact CG2-CZ2 4.37Å
446	G	91.7	Very high	94.9	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	21%	0.21	S	C	.	.	H	α-helix	trans	58.2	173.5	-170.6	0	0	0	0	0	115.8	W443 S444 R448 R449 F450	W443-G446 PolarHBondContact O-N 2.92Å; S444-G446 VanDerWaalsContact C-N 3.29Å; S444-G446 PolarHBondContact O-N 2.71Å; G446-R448 VanDerWaalsContact C-N 3.29Å; G446-R448 PolarHBondContact O-N 3.24Å; G446-R448 VanDerWaalsContact O-N 3.17Å; G446-R449 PolarHBondContact O-N 3.38Å; G446-F450 WeakPolarHBondContact O-CB 3.39Å; G446-F450 PolarHBondContact O-N 2.76Å; G446-F450 VanDerWaalsContact O-N 3.09Å
447	K	93.8	Very high	94.9	Very high	179 Å²	179	45.4 Å²	45.4	78%	0.778	21%	0.21	S	C	*	.	H	α-helix	trans	-62.9	-27.9	-169.3	-63.6	-177.9	-175	-178.1	0	114.7	K451	K447-K451 PolarHBondContact O-N 3.04Å
448	R	94	Very high	94.8	Very high	195 Å²	195	45.5 Å²	45.5	74%	0.736	21%	0.21	S	C	*	.	H	α-helix	trans	-75.1	-49.9	-177.7	-169.5	177.7	-176.8	176.8	1.4	111.8	G446 F450 K451 I452	G446-R448 VanDerWaalsContact C-N 3.29Å; G446-R448 PolarHBondContact O-N 3.24Å; G446-R448 VanDerWaalsContact O-N 3.17Å; R448-F450 VanDerWaalsContact C-N 3.3Å; R448-F450 PolarHBondContact O-N 3.35Å; R448-K451 PolarHBondContact O-N 3.25Å; R448-I452 PolarHBondContact O-N 3.08Å
449	R	94.6	Very high	94.8	Very high	84 Å²	84	47 Å²	47	32%	0.317	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-36.6	174.8	-64	174	161	179	-1.4	110.7	I445 G446 K451 I452 Q453 D544 E571 W605	I445-R449 HydrophobicContact CB-CB 4.02Å; I445-R449 VanDerWaalsContact O-CB 3.24Å; I445-R449 WeakPolarHBondContact O-CB 3.47Å; I445-R449 VanDerWaalsContact O-CD 3.26Å; I445-R449 WeakPolarHBondContact O-CD 3.49Å; I445-R449 WeakPolarHBondContact O-CG 3.19Å; G446-R449 PolarHBondContact O-N 3.38Å; R449-K451 PolarHBondContact O-N 3.06Å; R449-I452 WeakPolarHBondContact O-CA 3.39Å; R449-I452 WeakPolarHBondContact O-CB 3.35Å; R449-I452 PolarHBondContact O-N 2.85Å; R449-Q453 PolarHBondContact O-N 3.18Å; R449-D544 WeakPolarHBondContact CD-OD2 3.43Å; R449-D544 IonicContact CZ-OD1 2.69Å; R449-D544 IonicContact CZ-OD2 3.17Å; R449-D544 IonicContact NE-OD2 3.27Å; R449-D544 IonicContact NH1-OD1 2.75Å; R449-D544 IonicContact NH1-OD2 2.73Å; R449-D544 PolarHBondContact NH1-OD2 2.62Å; R449-E571 IonicContact CZ-OE2 3.72Å; R449-E571 IonicContact NH2-OE2 3.45Å; R449-E571 PolarHBondContact NH2-OE2 2.9Å; R449-W605 HydrophobicContact CB-CD2 3.8Å; R449-W605 HydrophobicContact CB-CE3 4.04Å; R449-W605 HydrophobicContact CB-CG 4.41Å; R449-W605 HydrophobicContact CB-CH2 3.98Å; R449-W605 HydrophobicContact CB-CZ2 3.72Å; R449-W605 HydrophobicContact CB-CZ3 4.14Å; R449-W605 HydrophobicContact CG-CD2 3.75Å; R449-W605 HydrophobicContact CG-CE3 4.44Å; R449-W605 HydrophobicContact CG-CG 3.85Å; R449-W605 HydrophobicContact CG-CZ2 4.18Å; R449-W605 WeakPolarHBondContact O-CZ3 3.33Å
450	F	95.9	Very high	94.8	Very high	10 Å²	10	47 Å²	47	4%	0.044	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-45.4	173.4	-172.3	-102.2	0	0	0	113.5	M439 I445 G446 R448 I452 Q453 K454 Q477 I504 Q506	M439-F450 HydrophobicContact CE-CD2 4.07Å; M439-F450 HydrophobicContact CE-CE2 3.44Å; M439-F450 VanDerWaalsContact CE-CE2 3.44Å; M439-F450 HydrophobicContact CE-CZ 3.71Å; I445-F450 HydrophobicContact CD1-CB 3.97Å; I445-F450 HydrophobicContact CD1-CD2 3.82Å; I445-F450 HydrophobicContact CD1-CG 4.41Å; G446-F450 WeakPolarHBondContact O-CB 3.39Å; G446-F450 PolarHBondContact O-N 2.76Å; G446-F450 VanDerWaalsContact O-N 3.09Å; R448-F450 VanDerWaalsContact C-N 3.3Å; R448-F450 PolarHBondContact O-N 3.35Å; F450-I452 VanDerWaalsContact C-N 3.31Å; F450-I452 PolarHBondContact O-N 2.9Å; F450-Q453 WeakPolarHBondContact O-CB 3.41Å; F450-Q453 PolarHBondContact O-N 2.82Å; F450-K454 HydrophobicContact CD1-CD 4.3Å; F450-K454 HydrophobicContact CD1-CG 4.5Å; F450-K454 HydrophobicContact CE1-CD 3.78Å; F450-K454 HydrophobicContact CE1-CG 4.28Å; F450-K454 HydrophobicContact CZ-CD 4.37Å; F450-K454 WeakPolarHBondContact O-CG 3.21Å; F450-K454 PolarHBondContact O-N 2.89Å; F450-K454 VanDerWaalsContact O-N 3.13Å; F450-Q477 VanDerWaalsContact CE2-OE1 3.29Å; F450-I504 HydrophobicContact CZ-CG2 4.09Å; F450-Q506 HydrophobicContact CB-CG 4.34Å; F450-Q506 HydrophobicContact CD1-CB 3.84Å; F450-Q506 HydrophobicContact CD1-CG 4.26Å; F450-Q506 HydrophobicContact CD2-CB 4.06Å; F450-Q506 HydrophobicContact CD2-CG 3.65Å; F450-Q506 HydrophobicContact CE1-CB 3.82Å; F450-Q506 HydrophobicContact CE1-CG 4.48Å; F450-Q506 VanDerWaalsContact CE1-N 3.35Å; F450-Q506 HydrophobicContact CE2-CB 4.01Å; F450-Q506 HydrophobicContact CE2-CG 3.87Å; F450-Q506 HydrophobicContact CG-CB 3.95Å; F450-Q506 HydrophobicContact CG-CG 3.83Å; F450-Q506 VanDerWaalsContact CZ-CA 3.47Å; F450-Q506 HydrophobicContact CZ-CB 3.9Å; F450-Q506 HydrophobicContact CZ-CG 4.29Å
451	K	96.1	Very high	94.8	Very high	78 Å²	78	47 Å²	47	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-36.4	173.9	178	52.8	173.9	159	0	111.8	K447 R448 R449 Q453 K454 D455 D502	K447-K451 PolarHBondContact O-N 3.04Å; R448-K451 PolarHBondContact O-N 3.25Å; R449-K451 PolarHBondContact O-N 3.06Å; K451-Q453 VanDerWaalsContact C-N 3.34Å; K451-Q453 PolarHBondContact O-N 3.32Å; K451-K454 HydrophobicContact CD-CB 4.46Å; K451-K454 WeakPolarHBondContact O-CB 3.49Å; K451-K454 PolarHBondContact O-N 3.45Å; K451-K454 VanDerWaalsContact O-N 3.09Å; K451-D455 WeakPolarHBondContact CE-OD1 3.47Å; K451-D455 WeakPolarHBondContact CE-OD2 3.47Å; K451-D455 IonicContact NZ-OD1 3.38Å; K451-D455 PolarHBondContact NZ-OD1 2.81Å; K451-D455 IonicContact NZ-OD2 2.67Å; K451-D455 PolarHBondContact O-N 3.19Å; K451-D502 IonicContact NZ-OD1 3.71Å; K451-D502 PolarHBondContact NZ-OD1 3.24Å
452	I	96.2	Very high	94.7	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-37.8	174.5	-63.1	161.1	0	0	0	111.8	R448 R449 F450 D455 F456 W605 L608	R448-I452 PolarHBondContact O-N 3.08Å; R449-I452 WeakPolarHBondContact O-CA 3.39Å; R449-I452 WeakPolarHBondContact O-CB 3.35Å; R449-I452 PolarHBondContact O-N 2.85Å; F450-I452 VanDerWaalsContact C-N 3.31Å; F450-I452 PolarHBondContact O-N 2.9Å; I452-D455 PolarHBondContact O-N 2.97Å; I452-F456 WeakPolarHBondContact O-CB 3.46Å; I452-F456 PolarHBondContact O-N 3.38Å; I452-W605 HydrophobicContact CB-CE3 4Å; I452-W605 HydrophobicContact CB-CZ3 4.42Å; I452-W605 HydrophobicContact CD1-CB 4.35Å; I452-W605 HydrophobicContact CG2-CE3 3.8Å; I452-W605 HydrophobicContact CG2-CZ3 4.39Å; I452-W605 WeakPolarHBondContact CG2-O 3.38Å; I452-L608 HydrophobicContact CG2-CD2 4.22Å
453	Q	95.5	Very high	94.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-46.8	170	-69.6	-170.7	68.3	0	0	111.2	M439 D440 R449 F450 K451 D455 F456 L457 L542 W605	M439-Q453 HydrophobicContact CE-CB 4.27Å; D440-Q453 PolarHBondContact O-NE2 3.16Å; R449-Q453 PolarHBondContact O-N 3.18Å; F450-Q453 WeakPolarHBondContact O-CB 3.41Å; F450-Q453 PolarHBondContact O-N 2.82Å; K451-Q453 VanDerWaalsContact C-N 3.34Å; K451-Q453 PolarHBondContact O-N 3.32Å; Q453-D455 VanDerWaalsContact C-N 3.33Å; Q453-D455 PolarHBondContact O-N 2.75Å; Q453-F456 WeakPolarHBondContact O-CB 3.35Å; Q453-F456 PolarHBondContact O-N 2.87Å; Q453-L457 VanDerWaalsContact O-CG 3.26Å; Q453-L457 WeakPolarHBondContact O-CG 3.41Å; Q453-L457 PolarHBondContact O-N 3.11Å; Q453-L542 HydrophobicContact CB-CD1 4.3Å; Q453-L542 HydrophobicContact CG-CD1 4.2Å; Q453-W605 HydrophobicContact CB-CZ3 4.5Å; Q453-W605 HydrophobicContact CG-CH2 3.44Å; Q453-W605 VanDerWaalsContact CG-CH2 3.44Å; Q453-W605 HydrophobicContact CG-CZ3 3.42Å; Q453-W605 VanDerWaalsContact CG-CZ3 3.42Å
454	K	96.9	Very high	94.8	Very high	17 Å²	17	46.2 Å²	46.2	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42.1	179.6	-61.7	-157.4	-48	166.3	0	111.8	M439 F450 K451 L457 A458 I501 D502 I504	M439-K454 HydrophobicContact CE-CG 3.94Å; F450-K454 HydrophobicContact CD1-CD 4.3Å; F450-K454 HydrophobicContact CD1-CG 4.5Å; F450-K454 HydrophobicContact CE1-CD 3.78Å; F450-K454 HydrophobicContact CE1-CG 4.28Å; F450-K454 HydrophobicContact CZ-CD 4.37Å; F450-K454 WeakPolarHBondContact O-CG 3.21Å; F450-K454 PolarHBondContact O-N 2.89Å; F450-K454 VanDerWaalsContact O-N 3.13Å; K451-K454 HydrophobicContact CD-CB 4.46Å; K451-K454 WeakPolarHBondContact O-CB 3.49Å; K451-K454 PolarHBondContact O-N 3.45Å; K451-K454 VanDerWaalsContact O-N 3.09Å; K454-L457 PolarHBondContact O-N 3.12Å; K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.74Å; K454-I501 HydrophobicContact CB-CG2 3.7Å; K454-I501 WeakPolarHBondContact CD-O 3.31Å; K454-I501 HydrophobicContact CG-CG2 4.31Å; K454-I501 PolarHBondContact NZ-O 3.03Å; K454-I501 VanDerWaalsContact O-CG2 3.28Å; K454-I501 WeakPolarHBondContact O-CG2 3.47Å; K454-D502 VanDerWaalsContact NZ-C 3.33Å; K454-D502 PolarHBondContact NZ-O 3.34Å; K454-I504 HydrophobicContact CD-CB 4.06Å; K454-I504 PolarHBondContact NZ-O 2.94Å
455	D	97.1	Very high	95	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-66.6	-37.9	177.6	-66.1	-30	0	0	0	112	K451 I452 Q453 A458 D459	K451-D455 WeakPolarHBondContact CE-OD1 3.47Å; K451-D455 WeakPolarHBondContact CE-OD2 3.47Å; K451-D455 IonicContact NZ-OD1 3.38Å; K451-D455 PolarHBondContact NZ-OD1 2.81Å; K451-D455 IonicContact NZ-OD2 2.67Å; K451-D455 PolarHBondContact O-N 3.19Å; I452-D455 PolarHBondContact O-N 2.97Å; Q453-D455 VanDerWaalsContact C-N 3.33Å; Q453-D455 PolarHBondContact O-N 2.75Å; D455-A458 PolarHBondContact O-N 2.78Å; D455-D459 PolarHBondContact O-N 2.92Å
456	F	97.6	Very high	95.1	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.022	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-48.5	170.9	171.1	-99.6	0	0	0	112.4	F437 I452 Q453 A458 D459 V460 L542 L608 A611 V612 L615	F437-F456 HydrophobicContact CE1-CE1 4.39Å; I452-F456 WeakPolarHBondContact O-CB 3.46Å; I452-F456 PolarHBondContact O-N 3.38Å; Q453-F456 WeakPolarHBondContact O-CB 3.35Å; Q453-F456 PolarHBondContact O-N 2.87Å; F456-A458 VanDerWaalsContact C-N 3.28Å; F456-A458 PolarHBondContact O-N 2.78Å; F456-D459 PolarHBondContact O-N 2.8Å; F456-V460 HydrophobicContact CD1-CG2 4.32Å; F456-V460 HydrophobicContact CD2-CG2 4.34Å; F456-V460 HydrophobicContact CE1-CG2 3.91Å; F456-V460 HydrophobicContact CE2-CG2 3.96Å; F456-V460 HydrophobicContact CZ-CG2 3.73Å; F456-V460 WeakPolarHBondContact O-CG2 3.29Å; F456-V460 PolarHBondContact O-N 2.83Å; F456-L542 HydrophobicContact CD1-CD1 4.15Å; F456-L542 HydrophobicContact CD1-CD2 4.41Å; F456-L542 HydrophobicContact CE1-CD1 4.4Å; F456-L542 HydrophobicContact CE1-CD2 3.89Å; F456-L608 HydrophobicContact CB-CD2 3.7Å; F456-L608 HydrophobicContact CB-CG 3.94Å; F456-L608 HydrophobicContact CD1-CD1 4.36Å; F456-L608 HydrophobicContact CD1-CD2 4.32Å; F456-L608 HydrophobicContact CD1-CG 4.36Å; F456-L608 HydrophobicContact CD2-CD1 3.88Å; F456-L608 HydrophobicContact CD2-CD2 4.25Å; F456-L608 HydrophobicContact CD2-CG 3.58Å; F456-L608 WeakPolarHBondContact CD2-O 3.25Å; F456-L608 HydrophobicContact CE1-CD1 4.4Å; F456-L608 HydrophobicContact CE2-CD1 3.9Å; F456-L608 HydrophobicContact CE2-CG 4.11Å; F456-L608 WeakPolarHBondContact CE2-O 3.29Å; F456-L608 HydrophobicContact CG-CD1 4.1Å; F456-L608 HydrophobicContact CG-CD2 3.85Å; F456-L608 HydrophobicContact CG-CG 3.7Å; F456-L608 HydrophobicContact CZ-CD1 4.16Å; F456-A611 HydrophobicContact CE2-CB 4.25Å; F456-V612 HydrophobicContact CD2-CG2 3.52Å; F456-V612 HydrophobicContact CE2-CB 4.41Å; F456-V612 HydrophobicContact CE2-CG2 3.52Å; F456-L615 HydrophobicContact CE1-CD2 4.25Å; F456-L615 HydrophobicContact CZ-CD2 3.77Å
457	L	97.6	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-38.9	178	-68.2	167.1	0	0	0	111.5	F437 M439 Q453 K454 A461 M473 I475 I501 L542	F437-L457 HydrophobicContact CB-CD2 3.62Å; F437-L457 HydrophobicContact CD1-CD2 3.22Å; F437-L457 HydrophobicContact CD2-CD2 4.1Å; F437-L457 HydrophobicContact CE1-CD2 3.87Å; F437-L457 HydrophobicContact CG-CD2 3.36Å; M439-L457 HydrophobicContact CB-CD1 4Å; M439-L457 HydrophobicContact CE-CD1 4.1Å; M439-L457 HydrophobicContact CG-CD1 4.47Å; M439-L457 HydrophobicContact SD-CD1 3.77Å; Q453-L457 VanDerWaalsContact O-CG 3.26Å; Q453-L457 WeakPolarHBondContact O-CG 3.41Å; Q453-L457 PolarHBondContact O-N 3.11Å; K454-L457 PolarHBondContact O-N 3.12Å; L457-A461 WeakPolarHBondContact O-CB 3.16Å; L457-A461 PolarHBondContact O-N 3.44Å; L457-M473 HydrophobicContact CB-CE 4.05Å; L457-M473 HydrophobicContact CD2-CE 3.94Å; L457-M473 WeakPolarHBondContact O-CE 3.2Å; L457-I475 HydrophobicContact CD1-CD1 4.39Å; L457-I475 HydrophobicContact CD1-CG2 4.4Å; L457-I501 HydrophobicContact CB-CD1 3.93Å; L457-L542 HydrophobicContact CD2-CD1 4.21Å; L457-L542 HydrophobicContact CG-CD1 4.34Å
458	A	97.1	Very high	94.5	Very high	2 Å²	2	40 Å²	40	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-42.6	175.2	0	0	0	0	0	112.2	K454 D455 F456 A461 Q462 K498 I501	K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.74Å; D455-A458 PolarHBondContact O-N 2.78Å; F456-A458 VanDerWaalsContact C-N 3.28Å; F456-A458 PolarHBondContact O-N 2.78Å; A458-A461 PolarHBondContact O-N 3.45Å; A458-Q462 VanDerWaalsContact C-NE2 3.28Å; A458-Q462 VanDerWaalsContact O-CG 3.31Å; A458-Q462 WeakPolarHBondContact O-CG 3.47Å; A458-Q462 PolarHBondContact O-N 3.07Å; A458-Q462 VanDerWaalsContact O-N 3.1Å; A458-Q462 PolarHBondContact O-NE2 2.82Å; A458-K498 HydrophobicContact CB-CB 4.43Å; A458-K498 HydrophobicContact CB-CD 4.24Å; A458-K498 HydrophobicContact CB-CG 3.92Å; A458-I501 HydrophobicContact CB-CD1 4.34Å; A458-I501 HydrophobicContact CB-CG2 4.44Å
459	D	96.8	Very high	94.1	Very high	31 Å²	31	32.8 Å²	32.8	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-37.4	175.8	-88	4.5	0	0	0	112.3	D455 F456 Q462 V463 R609 V612	D455-D459 PolarHBondContact O-N 2.92Å; F456-D459 PolarHBondContact O-N 2.8Å; D459-Q462 PolarHBondContact O-N 2.94Å; D459-Q462 PolarHBondContact OD1-NE2 2.92Å; D459-V463 WeakPolarHBondContact O-CB 3.41Å; D459-V463 VanDerWaalsContact O-CG2 3.3Å; D459-V463 WeakPolarHBondContact O-CG2 3.44Å; D459-V463 PolarHBondContact O-N 2.69Å; D459-R609 IonicContact OD2-CZ 2.62Å; D459-R609 IonicContact OD2-NE 3.2Å; D459-R609 PolarHBondContact OD2-NE 2.85Å; D459-R609 IonicContact OD2-NH2 3.72Å; D459-R609 PolarHBondContact OD2-NH2 2.97Å; D459-V612 HydrophobicContact CB-CG2 4.32Å
460	V	96.7	Very high	93.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-48.2	170	175.9	0	0	0	0	111	F437 F456 Q462 V463 I464 V612 L615 V616	F437-V460 HydrophobicContact CE2-CG1 4.34Å; F437-V460 HydrophobicContact CZ-CG1 3.82Å; F456-V460 HydrophobicContact CD1-CG2 4.32Å; F456-V460 HydrophobicContact CD2-CG2 4.34Å; F456-V460 HydrophobicContact CE1-CG2 3.91Å; F456-V460 HydrophobicContact CE2-CG2 3.96Å; F456-V460 HydrophobicContact CZ-CG2 3.73Å; F456-V460 WeakPolarHBondContact O-CG2 3.29Å; F456-V460 PolarHBondContact O-N 2.83Å; V460-Q462 PolarHBondContact O-N 2.8Å; V460-V463 PolarHBondContact O-N 2.98Å; V460-V463 VanDerWaalsContact O-N 3.16Å; V460-I464 WeakPolarHBondContact O-CB 3.13Å; V460-I464 VanDerWaalsContact O-CG2 3.25Å; V460-I464 WeakPolarHBondContact O-CG2 3.35Å; V460-I464 PolarHBondContact O-N 3.42Å; V460-V612 HydrophobicContact CG2-CB 4.37Å; V460-V612 HydrophobicContact CG2-CG1 4.02Å; V460-V612 HydrophobicContact CG2-CG2 4.05Å; V460-L615 HydrophobicContact CG2-CD2 4.19Å; V460-V616 HydrophobicContact CG1-CG2 4.09Å
461	A	95.2	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-35.3	-179.7	0	0	0	0	0	113	L457 A458 V466 M473 S494 V497	L457-A461 WeakPolarHBondContact O-CB 3.16Å; L457-A461 PolarHBondContact O-N 3.44Å; A458-A461 PolarHBondContact O-N 3.45Å; A461-V466 HydrophobicContact CB-CG2 4.07Å; A461-V466 PolarHBondContact O-N 2.77Å; A461-M473 HydrophobicContact CB-CE 4.31Å; A461-M473 HydrophobicContact CB-SD 3.75Å; A461-S494 WeakPolarHBondContact O-CB 3.07Å; A461-V497 HydrophobicContact CB-CB 4.32Å; A461-V497 HydrophobicContact CB-CG1 3.69Å
462	Q	93.8	Very high	93.6	Very high	73 Å²	73	24.9 Å²	24.9	34%	0.341	14%	0.136	S	C	.	.	H	α-helix	trans	-71.3	-49.7	173.8	-70.5	164	109.3	0	0	111.7	A458 D459 V460 N465 K498	A458-Q462 VanDerWaalsContact C-NE2 3.28Å; A458-Q462 VanDerWaalsContact O-CG 3.31Å; A458-Q462 WeakPolarHBondContact O-CG 3.47Å; A458-Q462 PolarHBondContact O-N 3.07Å; A458-Q462 VanDerWaalsContact O-N 3.1Å; A458-Q462 PolarHBondContact O-NE2 2.82Å; D459-Q462 PolarHBondContact O-N 2.94Å; D459-Q462 PolarHBondContact OD1-NE2 2.92Å; V460-Q462 PolarHBondContact O-N 2.8Å; Q462-N465 PolarHBondContact O-N 3.32Å; Q462-K498 VanDerWaalsContact CD-NZ 3.27Å; Q462-K498 HydrophobicContact CG-CD 4.34Å; Q462-K498 VanDerWaalsContact NE2-NZ 3.14Å
463	V	94.4	Very high	93.5	Very high	61 Å²	61	23.1 Å²	23.1	37%	0.37	13%	0.126	S	C	.	.	H	α-helix	trans	-70.9	-39.1	-174.3	171	0	0	0	0	113	D459 V460 N465 V612 V616	D459-V463 WeakPolarHBondContact O-CB 3.41Å; D459-V463 VanDerWaalsContact O-CG2 3.3Å; D459-V463 WeakPolarHBondContact O-CG2 3.44Å; D459-V463 PolarHBondContact O-N 2.69Å; V460-V463 PolarHBondContact O-N 2.98Å; V460-V463 VanDerWaalsContact O-N 3.16Å; V463-N465 PolarHBondContact O-N 2.64Å; V463-V612 HydrophobicContact CB-CG1 3.93Å; V463-V612 HydrophobicContact CG1-CG1 4.17Å; V463-V612 HydrophobicContact CG2-CG1 3.9Å; V463-V616 HydrophobicContact CG1-CB 4.38Å; V463-V616 HydrophobicContact CG1-CG1 4.3Å; V463-V616 HydrophobicContact CG1-CG2 4.09Å
464	I	92.4	Very high	93.5	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	175	-151.4	172.8	0	0	0	112.2	L435 V460 V466 P471 V616 V619	L435-I464 HydrophobicContact CD1-CD1 4.04Å; L435-I464 HydrophobicContact CD2-CD1 3.66Å; V460-I464 WeakPolarHBondContact O-CB 3.13Å; V460-I464 VanDerWaalsContact O-CG2 3.25Å; V460-I464 WeakPolarHBondContact O-CG2 3.35Å; V460-I464 PolarHBondContact O-N 3.42Å; I464-V466 HydrophobicContact CG2-CG2 3.47Å; I464-V466 VanDerWaalsContact CG2-CG2 3.47Å; I464-P471 HydrophobicContact CB-CG 4.5Å; I464-P471 HydrophobicContact CD1-CB 4.12Å; I464-P471 HydrophobicContact CD1-CG 4.41Å; I464-P471 HydrophobicContact CG1-CB 4.15Å; I464-P471 HydrophobicContact CG1-CG 3.88Å; I464-P471 HydrophobicContact CG2-CG 4.23Å; I464-P471 WeakPolarHBondContact O-CG 3.37Å; I464-V616 HydrophobicContact CB-CG1 4.26Å; I464-V616 HydrophobicContact CB-CG2 3.9Å; I464-V616 HydrophobicContact CD1-CG2 4.46Å; I464-V616 HydrophobicContact CG1-CG1 4.03Å; I464-V616 HydrophobicContact CG1-CG2 4.21Å; I464-V619 HydrophobicContact CD1-CG1 4.48Å
465	N	92.1	Very high	93.5	Very high	47 Å²	47	22.3 Å²	22.3	25%	0.251	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	68.3	-175.9	-170.6	34.4	0	0	0	112.1	S425 G427 D428 Q462 V463 G467 P471	S425-N465 WeakPolarHBondContact CB-OD1 3.46Å; S425-N465 PolarHBondContact OG-ND2 2.94Å; S425-N465 PolarHBondContact OG-OD1 2.94Å; G427-N465 WeakPolarHBondContact CA-O 3.2Å; D428-N465 PolarHBondContact N-ND2 2.73Å; Q462-N465 PolarHBondContact O-N 3.32Å; V463-N465 PolarHBondContact O-N 2.64Å; N465-G467 PolarHBondContact O-N 2.99Å; N465-P471 WeakPolarHBondContact O-CD 3.29Å
466	V	92.1	Very high	93.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.106	C	C	.	.			trans	-62.2	131.1	-179.4	177.6	0	0	0	0	111.9	A461 I464 P471 M473 S493 S494 V497	A461-V466 HydrophobicContact CB-CG2 4.07Å; A461-V466 PolarHBondContact O-N 2.77Å; I464-V466 HydrophobicContact CG2-CG2 3.47Å; I464-V466 VanDerWaalsContact CG2-CG2 3.47Å; V466-P471 WeakPolarHBondContact CA-O 3.45Å; V466-P471 WeakPolarHBondContact CG1-O 3.4Å; V466-M473 HydrophobicContact CB-CB 4.43Å; V466-M473 HydrophobicContact CG1-CB 3.94Å; V466-M473 HydrophobicContact CG2-CB 3.55Å; V466-M473 HydrophobicContact CG2-CG 4.43Å; V466-M473 HydrophobicContact CG2-SD 4.08Å; V466-S493 CarbonylContact O-C 3.58Å; V466-S494 PolarHBondContact O-N 3.22Å; V466-S494 VanDerWaalsContact O-N 3.12Å; V466-V497 HydrophobicContact CG1-CG2 4Å
467	G	88.4	Confident	93.5	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-177.2	166.3	171.9	0	0	0	0	0	113.2	Q426 N465 A469 G470 P471 S492	Q426-G467 CarbonylContact O-C 3.44Å; Q426-G467 WeakPolarHBondContact O-CA 3.29Å; N465-G467 PolarHBondContact O-N 2.99Å; G467-A469 VanDerWaalsContact C-N 3.34Å; G467-A469 PolarHBondContact O-N 2.9Å; G467-G470 CarbonylContact O-C 3.54Å; G467-G470 PolarHBondContact O-N 3.46Å; G467-P471 PolarHBondContact N-O 3.38Å; G467-P471 VanDerWaalsContact O-O 3.12Å; G467-S492 WeakPolarHBondContact CA-O 3.17Å
468	M	84.9	Confident	93.4	Very high	118 Å²	118	19 Å²	19	58%	0.581	11%	0.105	S	C	*	.	S	Bend	trans	-65.9	-28.4	-167.9	-61.4	-172	-64.3	0	0	115.1	Q426 R532	Q426-M468 PolarHBondContact O-N 3.16Å; M468-R532 PolarHBondContact O-NH1 3.22Å; M468-R532 VanDerWaalsContact O-NH1 3.16Å
469	A	84.8	Confident	93.2	Very high	44 Å²	44	19.1 Å²	19.1	36%	0.364	11%	0.106	S	C	.	.	S	Bend	trans	-79.4	-33.6	176.1	0	0	0	0	0	111.8	Q426 G467	Q426-A469 HydrophobicContact CB-CB 4.05Å; Q426-A469 WeakPolarHBondContact O-CB 3.35Å; Q426-A469 PolarHBondContact O-N 3.03Å; G467-A469 VanDerWaalsContact C-N 3.34Å; G467-A469 PolarHBondContact O-N 2.9Å
470	G	88.8	Confident	93	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-102.9	-129.5	-178.2	0	0	0	0	0	114.1	Q426 D428 C431 G467 R532	Q426-G470 PolarHBondContact O-N 3.3Å; D428-G470 WeakPolarHBondContact O-CA 3.32Å; C431-G470 CarbonylContact O-C 3.58Å; G467-G470 CarbonylContact O-C 3.54Å; G467-G470 PolarHBondContact O-N 3.46Å; G470-R532 VanDerWaalsContact O-CZ 3.24Å; G470-R532 PolarHBondContact O-NH1 3.22Å; G470-R532 PolarHBondContact O-NH2 2.87Å
471	P	93.4	Very high	92.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.			trans	-78.8	134.4	179.7	24.8	-24.4	0	0	0	111.1	C431 V433 L435 I464 N465 V466 G467	C431-P471 HydrophobicContact CB-CG 4.33Å; C431-P471 VanDerWaalsContact O-CA 3.29Å; C431-P471 WeakPolarHBondContact O-CA 3.44Å; C431-P471 VanDerWaalsContact O-CB 3.27Å; C431-P471 WeakPolarHBondContact O-CB 3.42Å; C431-P471 VanDerWaalsContact O-CD 3.3Å; C431-P471 WeakPolarHBondContact O-CD 3.43Å; C431-P471 VanDerWaalsContact O-N 3.08Å; V433-P471 HydrophobicContact CG2-CB 4.03Å; V433-P471 WeakPolarHBondContact O-CA 3.12Å; L435-P471 HydrophobicContact CD1-CB 4.23Å; I464-P471 HydrophobicContact CB-CG 4.5Å; I464-P471 HydrophobicContact CD1-CB 4.12Å; I464-P471 HydrophobicContact CD1-CG 4.41Å; I464-P471 HydrophobicContact CG1-CB 4.15Å; I464-P471 HydrophobicContact CG1-CG 3.88Å; I464-P471 HydrophobicContact CG2-CG 4.23Å; I464-P471 WeakPolarHBondContact O-CG 3.37Å; N465-P471 WeakPolarHBondContact O-CD 3.29Å; V466-P471 WeakPolarHBondContact CA-O 3.45Å; V466-P471 WeakPolarHBondContact CG1-O 3.4Å; G467-P471 PolarHBondContact N-O 3.38Å; G467-P471 VanDerWaalsContact O-O 3.12Å
472	M	93.5	Very high	92.7	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137	172.4	-65.8	-166.6	-46.6	0	0	110	V433 D434 L435 L488 R489 G530 R532	V433-M472 PolarHBondContact O-N 2.63Å; D434-M472 WeakPolarHBondContact OD1-CE 3.38Å; D434-M472 WeakPolarHBondContact OD2-CE 3.48Å; L435-M472 PolarHBondContact N-O 2.7Å; M472-L488 HydrophobicContact CB-CB 4.48Å; M472-L488 HydrophobicContact CB-CD2 4.44Å; M472-L488 HydrophobicContact CE-CB 4.11Å; M472-R489 HydrophobicContact CE-CG 4.39Å; M472-R489 HydrophobicContact SD-CG 3.93Å; M472-G530 VanDerWaalsContact CE-O 3.27Å; M472-G530 WeakPolarHBondContact CE-O 3.47Å; M472-R532 HydrophobicContact CE-CG 3.66Å
473	M	94.6	Very high	92.8	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.6	-174.3	-179.8	167.3	164.1	0	0	112.1	F437 L457 A461 V466 I475 V497 I501	F437-M473 HydrophobicContact CD2-CE 3.57Å; F437-M473 HydrophobicContact CD2-CG 3.95Å; F437-M473 HydrophobicContact CD2-SD 4.08Å; F437-M473 HydrophobicContact CE2-CE 3.71Å; F437-M473 HydrophobicContact CE2-CG 4.05Å; F437-M473 HydrophobicContact CE2-SD 3.79Å; F437-M473 HydrophobicContact CG-CE 4.26Å; F437-M473 HydrophobicContact CZ-CE 4.49Å; L457-M473 HydrophobicContact CB-CE 4.05Å; L457-M473 HydrophobicContact CD2-CE 3.94Å; L457-M473 WeakPolarHBondContact O-CE 3.2Å; A461-M473 HydrophobicContact CB-CE 4.31Å; A461-M473 HydrophobicContact CB-SD 3.75Å; V466-M473 HydrophobicContact CB-CB 4.43Å; V466-M473 HydrophobicContact CG1-CB 3.94Å; V466-M473 HydrophobicContact CG2-CB 3.55Å; V466-M473 HydrophobicContact CG2-CG 4.43Å; V466-M473 HydrophobicContact CG2-SD 4.08Å; M473-I475 HydrophobicContact CE-CD1 3.99Å; M473-I475 HydrophobicContact CE-CG1 4.21Å; M473-V497 HydrophobicContact SD-CG1 4.48Å; M473-I501 HydrophobicContact CE-CD1 4.37Å
474	G	95.6	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.9	173.4	0	0	0	0	0	112.7	L435 F437 I486 Y524	L435-G474 PolarHBondContact O-N 2.73Å; F437-G474 PolarHBondContact N-O 2.95Å; G474-I486 WeakPolarHBondContact CA-O 3.12Å; G474-Y524 WeakPolarHBondContact CA-OH 3.22Å
475	I	97.3	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.3	-179.6	-52.5	-175.7	0	0	0	110.1	M439 L457 M473 E485 I486 I501 I504	M439-I475 HydrophobicContact CG-CG2 4.06Å; M439-I475 HydrophobicContact SD-CG2 3.6Å; L457-I475 HydrophobicContact CD1-CD1 4.39Å; L457-I475 HydrophobicContact CD1-CG2 4.4Å; M473-I475 HydrophobicContact CE-CD1 3.99Å; M473-I475 HydrophobicContact CE-CG1 4.21Å; I475-E485 PolarHBondContact O-N 3.34Å; I475-I486 HydrophobicContact CB-CB 4.13Å; I475-I486 HydrophobicContact CB-CD1 4.5Å; I475-I486 HydrophobicContact CB-CG1 4.32Å; I475-I486 HydrophobicContact CD1-CD1 3.8Å; I475-I486 HydrophobicContact CG1-CB 4.34Å; I475-I486 HydrophobicContact CG1-CD1 4.21Å; I475-I486 PolarHBondContact N-O 3.5Å; I475-I486 PolarHBondContact O-N 3.17Å; I475-I501 HydrophobicContact CD1-CD1 3.68Å; I475-I501 HydrophobicContact CD1-CG1 3.29Å; I475-I504 HydrophobicContact CD1-CD1 4.36Å; I475-I504 HydrophobicContact CG2-CD1 4.01Å
476	I	97.3	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.2	178.6	-56.6	163.7	0	0	0	106.4	A436 F437 L438 M439 P482 V483 Y519 I520 Y524	A436-I476 HydrophobicContact CB-CD1 4.38Å; F437-I476 PolarHBondContact O-N 3.48Å; L438-I476 WeakPolarHBondContact CA-O 3.47Å; L438-I476 HydrophobicContact CD2-CB 3.77Å; L438-I476 HydrophobicContact CD2-CD1 3.79Å; L438-I476 HydrophobicContact CD2-CG1 4.38Å; L438-I476 HydrophobicContact CD2-CG2 4.01Å; M439-I476 PolarHBondContact N-O 2.84Å; I476-P482 HydrophobicContact CG2-CB 4.1Å; I476-V483 CarbonylContact C-O 3.57Å; I476-V483 VanDerWaalsContact CA-O 3.31Å; I476-V483 WeakPolarHBondContact CA-O 3.04Å; I476-V483 WeakPolarHBondContact CG2-O 3.43Å; I476-Y519 HydrophobicContact CD1-CD1 4.22Å; I476-Y519 HydrophobicContact CD1-CE1 4.12Å; I476-Y519 HydrophobicContact CG1-CE1 4.41Å; I476-Y519 HydrophobicContact CG2-CD1 4.13Å; I476-Y519 HydrophobicContact CG2-CE1 4.04Å; I476-I520 HydrophobicContact CD1-CG2 3.31Å; I476-Y524 HydrophobicContact CD1-CD1 3.96Å; I476-Y524 HydrophobicContact CD1-CD2 3.5Å; I476-Y524 VanDerWaalsContact CD1-CD2 3.5Å; I476-Y524 HydrophobicContact CD1-CE1 4.36Å; I476-Y524 HydrophobicContact CD1-CE2 3.93Å; I476-Y524 HydrophobicContact CD1-CG 3.53Å; I476-Y524 HydrophobicContact CG1-CD2 3.86Å; I476-Y524 HydrophobicContact CG1-CE2 3.88Å; I476-Y524 HydrophobicContact CG1-CG 4.37Å
477	Q	96.9	Very high	93.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126	172.2	-179.9	167.2	-171.3	0	0	108.6	M439 G441 F450 P482 V483 E485 V505 Q506 K507	M439-Q477 HydrophobicContact CG-CB 4.09Å; M439-Q477 HydrophobicContact CG-CG 4.42Å; M439-Q477 WeakPolarHBondContact O-CA 3.16Å; G441-Q477 VanDerWaalsContact CA-OE1 3.28Å; F450-Q477 VanDerWaalsContact CE2-OE1 3.29Å; Q477-P482 WeakPolarHBondContact O-CA 3.05Å; Q477-V483 PolarHBondContact N-O 3.09Å; Q477-V483 PolarHBondContact O-N 3.33Å; Q477-E485 HydrophobicContact CB-CG 3.8Å; Q477-E485 PolarHBondContact NE2-OE1 3.26Å; Q477-V505 PolarHBondContact NE2-O 3.1Å; Q477-V505 PolarHBondContact OE1-O 2.98Å; Q477-Q506 VanDerWaalsContact OE1-CA 3.23Å; Q477-K507 HydrophobicContact CG-CB 4.39Å; Q477-K507 HydrophobicContact CG-CG 4.09Å
478	Y	95.8	Very high	93.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	165.5	175.5	76.6	-86.6	0	0	0	112.3	L438 M439 D440 G441 S511 V513 A516 L542	L438-Y478 HydrophobicContact CB-CD1 4Å; L438-Y478 HydrophobicContact CB-CE1 4.23Å; M439-Y478 VanDerWaalsContact C-CE1 3.49Å; M439-Y478 WeakPolarHBondContact O-CD1 3.17Å; M439-Y478 PolarHBondContact O-N 3.13Å; D440-Y478 HydrophobicContact CB-CE1 3.95Å; D440-Y478 PolarHBondContact OD2-OH 2.85Å; G441-Y478 CarbonylContact C-O 3.6Å; G441-Y478 WeakPolarHBondContact CA-O 3.35Å; G441-Y478 PolarHBondContact N-O 3.22Å; Y478-S511 WeakPolarHBondContact CE2-OG 3.48Å; Y478-S511 PolarHBondContact OH-OG 3.17Å; Y478-V513 HydrophobicContact CE2-CB 4.5Å; Y478-V513 HydrophobicContact CE2-CG2 3.6Å; Y478-V513 WeakPolarHBondContact OH-CG2 3.27Å; Y478-A516 HydrophobicContact CD1-CB 4.45Å; Y478-A516 HydrophobicContact CD2-CB 4.44Å; Y478-A516 HydrophobicContact CG-CB 3.94Å; Y478-L542 PolarHBondContact OH-O 2.89Å
479	G	93	Very high	93.3	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	172.5	-138.9	-165.8	0	0	0	0	0	108.3	E481 G508 M510 N512	G479-E481 VanDerWaalsContact C-N 3.28Å; G479-E481 PolarHBondContact O-N 3.12Å; G479-G508 VanDerWaalsContact CA-O 3.22Å; G479-G508 WeakPolarHBondContact CA-O 3.43Å; G479-M510 CarbonylContact C-O 3.04Å; G479-M510 WeakPolarHBondContact CA-O 3.03Å; G479-M510 VanDerWaalsContact O-O 3.1Å; G479-N512 WeakPolarHBondContact O-CB 3.46Å; G479-N512 PolarHBondContact O-ND2 2.98Å
480	D	91.1	Very high	93.4	Very high	79 Å²	79	29.9 Å²	29.9	42%	0.422	16%	0.157	S	C	.	.	S	Bend	trans	-59.2	-39.3	170.9	-67.9	-28	0	0	0	112.6	G508 G509 M510 N512 K515	D480-G508 PolarHBondContact N-O 3.43Å; D480-G509 WeakPolarHBondContact OD1-CA 3.44Å; D480-G509 VanDerWaalsContact OD2-CA 3.29Å; D480-G509 WeakPolarHBondContact OD2-CA 3.15Å; D480-M510 WeakPolarHBondContact OD1-CG 3.33Å; D480-M510 PolarHBondContact OD1-N 2.76Å; D480-N512 WeakPolarHBondContact CA-ND2 3.49Å; D480-K515 WeakPolarHBondContact O-CD 3.3Å; D480-K515 PolarHBondContact O-NZ 2.79Å
481	E	92.2	Very high	93.4	Very high	129 Å²	129	32.8 Å²	32.8	60%	0.603	17%	0.171	S	C	*	.	S	Bend	trans	-138.9	140.7	171.2	-69.1	-59.8	151.5	0	0	110.1	G479 K515	G479-E481 VanDerWaalsContact C-N 3.28Å; G479-E481 PolarHBondContact O-N 3.12Å; E481-K515 IonicContact OE1-NZ 3.83Å; E481-K515 PolarHBondContact OE1-NZ 2.95Å
482	P	95.1	Very high	93.1	Very high	18 Å²	18	35.6 Å²	35.6	12%	0.117	19%	0.19	C	C	.	.			trans	-77.3	138.2	-178.8	30.4	-33.7	0	0	0	112.8	I476 Q477 A516 Y519	I476-P482 HydrophobicContact CG2-CB 4.1Å; Q477-P482 WeakPolarHBondContact O-CA 3.05Å; P482-A516 HydrophobicContact CB-CB 4.29Å; P482-Y519 HydrophobicContact CB-CD1 4.13Å; P482-Y519 HydrophobicContact CB-CG 4.09Å; P482-Y519 VanDerWaalsContact CG-CB 3.47Å; P482-Y519 HydrophobicContact CG-CD1 4.22Å; P482-Y519 HydrophobicContact CG-CD2 4Å; P482-Y519 HydrophobicContact CG-CG 3.65Å
483	V	94.7	Very high	93	Very high	58 Å²	58	35.8 Å²	35.8	35%	0.352	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.4	-178.3	-179.7	0	0	0	0	110.1	I476 Q477 E485	I476-V483 CarbonylContact C-O 3.57Å; I476-V483 VanDerWaalsContact CA-O 3.31Å; I476-V483 WeakPolarHBondContact CA-O 3.04Å; I476-V483 WeakPolarHBondContact CG2-O 3.43Å; Q477-V483 PolarHBondContact N-O 3.09Å; Q477-V483 PolarHBondContact O-N 3.33Å; V483-E485 PolarHBondContact O-N 2.89Å
484	T	95	Very high	92.8	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.239	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.3	167.7	-67.5	0	0	0	0	109.6	Y519 Y524	T484-Y519 PolarHBondContact OG1-OH 3.18Å; T484-Y524 HydrophobicContact CG2-CD2 4.43Å; T484-Y524 HydrophobicContact CG2-CE2 3.78Å; T484-Y524 WeakPolarHBondContact OG1-CD2 3.5Å
485	E	95.4	Very high	92.6	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.257	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-33.9	172.7	-57.5	-73.5	177.1	0	0	110.8	I475 Q477 V483 I504 K507	I475-E485 PolarHBondContact O-N 3.34Å; Q477-E485 HydrophobicContact CB-CG 3.8Å; Q477-E485 PolarHBondContact NE2-OE1 3.26Å; V483-E485 PolarHBondContact O-N 2.89Å; E485-I504 HydrophobicContact CB-CD1 3.78Å; E485-I504 HydrophobicContact CB-CG1 4.06Å; E485-I504 HydrophobicContact CB-CG2 4.47Å; E485-I504 HydrophobicContact CG-CD1 4.23Å; E485-I504 HydrophobicContact CG-CG1 4.38Å; E485-I504 HydrophobicContact CG-CG2 3.87Å; E485-K507 WeakPolarHBondContact OE1-CE 2.98Å; E485-K507 IonicContact OE1-NZ 2.72Å
486	I	94.3	Very high	92.4	Very high	6 Å²	6	47 Å²	47	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.6	177.2	-56.9	-174.7	0	0	0	109.1	G474 I475 A490 A500 I501 Y524	G474-I486 WeakPolarHBondContact CA-O 3.12Å; I475-I486 HydrophobicContact CB-CB 4.13Å; I475-I486 HydrophobicContact CB-CD1 4.5Å; I475-I486 HydrophobicContact CB-CG1 4.32Å; I475-I486 HydrophobicContact CD1-CD1 3.8Å; I475-I486 HydrophobicContact CG1-CB 4.34Å; I475-I486 HydrophobicContact CG1-CD1 4.21Å; I475-I486 PolarHBondContact N-O 3.5Å; I475-I486 PolarHBondContact O-N 3.17Å; I486-A490 HydrophobicContact CG2-CB 4.01Å; I486-A500 HydrophobicContact CD1-CB 3.63Å; I486-A500 HydrophobicContact CG1-CB 4.33Å; I486-I501 HydrophobicContact CD1-CG1 4.22Å; I486-Y524 PolarHBondContact O-OH 2.78Å
487	S	92.9	Very high	92.2	Very high	36 Å²	36	47.1 Å²	47.1	25%	0.252	25%	0.247	S	C	.	.			trans	-87	157.9	171.4	67	0	0	0	0	112	R489 A490 Y524	S487-R489 PolarHBondContact O-N 3.12Å; S487-A490 VanDerWaalsContact O-CB 3.29Å; S487-A490 WeakPolarHBondContact O-CB 3.37Å; S487-A490 PolarHBondContact O-N 3.34Å; S487-Y524 VanDerWaalsContact CA-OH 3.29Å; S487-Y524 WeakPolarHBondContact CA-OH 3.37Å
488	L	91.2	Very high	92.2	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.4	-170.1	-69.1	169.2	0	0	0	114.5	D434 L435 M472 Y524 F525 N529 N531	D434-L488 HydrophobicContact CB-CD1 4.28Å; D434-L488 HydrophobicContact CB-CD2 4.45Å; L435-L488 WeakPolarHBondContact O-CD2 3.44Å; M472-L488 HydrophobicContact CB-CB 4.48Å; M472-L488 HydrophobicContact CB-CD2 4.44Å; M472-L488 HydrophobicContact CE-CB 4.11Å; L488-Y524 HydrophobicContact CD1-CE1 4.22Å; L488-Y524 HydrophobicContact CD2-CE1 4.12Å; L488-Y524 HydrophobicContact CG-CE1 3.82Å; L488-Y524 PolarHBondContact N-OH 3.07Å; L488-Y524 VanDerWaalsContact N-OH 3.17Å; L488-F525 HydrophobicContact CD1-CD1 4.36Å; L488-N529 PolarHBondContact N-O 2.93Å; L488-N529 VanDerWaalsContact N-O 3.16Å; L488-N531 HydrophobicContact CD1-CB 4.15Å
489	R	86.6	Confident	92.1	Very high	139 Å²	139	53.2 Å²	53.2	53%	0.525	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	11.4	178.7	-65.8	-177.2	-158.5	179.5	12.5	114	M472 S487 H491 G530 N531	M472-R489 HydrophobicContact CE-CG 4.39Å; M472-R489 HydrophobicContact SD-CG 3.93Å; S487-R489 PolarHBondContact O-N 3.12Å; R489-H491 VanDerWaalsContact C-N 3.26Å; R489-H491 PolarHBondContact O-N 2.83Å; R489-G530 PolarHBondContact NE-O 3.44Å; R489-G530 PolarHBondContact NH2-O 2.91Å; R489-N531 PolarHBondContact NH2-O 3.15Å
490	A	87.5	Confident	92.3	Very high	47 Å²	47	53.9 Å²	53.9	39%	0.388	29%	0.287	S	S	.	.	S	Bend	trans	-65.5	-29.6	-179.9	0	0	0	0	0	113.2	I486 S487	I486-A490 HydrophobicContact CG2-CB 4.01Å; S487-A490 VanDerWaalsContact O-CB 3.29Å; S487-A490 WeakPolarHBondContact O-CB 3.37Å; S487-A490 PolarHBondContact O-N 3.34Å
491	H	88.6	Confident	92.6	Very high	61 Å²	61	50.1 Å²	50.1	28%	0.282	27%	0.267	S	S	.	.			trans	-138	134.6	-174.7	-62.5	-46.3	0	0	0	110.6	R489 D496 V497 A500	R489-H491 VanDerWaalsContact C-N 3.26Å; R489-H491 PolarHBondContact O-N 2.83Å; H491-D496 HydrophobicContact CB-CB 3.92Å; H491-V497 HydrophobicContact CB-CG2 3.58Å; H491-A500 WeakPolarHBondContact NE2-CB 3.36Å
492	S	86.4	Confident	92.7	Very high	59 Å²	59	47.5 Å²	47.5	41%	0.413	26%	0.257	S	S	.	.	S	Bend	trans	-96.7	-7.9	-176.4	50.4	0	0	0	0	114.2	G467	G467-S492 WeakPolarHBondContact CA-O 3.17Å
493	S	90.9	Very high	92.8	Very high	11 Å²	11	54.3 Å²	54.3	8%	0.077	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-137.4	154.3	176.2	89.5	0	0	0	0	113.4	V466 K495 D496 V497	V466-S493 CarbonylContact O-C 3.58Å; S493-K495 PolarHBondContact O-N 3.37Å; S493-K495 PolarHBondContact OG-N 2.84Å; S493-D496 WeakPolarHBondContact CB-OD2 3.38Å; S493-D496 PolarHBondContact O-N 3.18Å; S493-D496 VanDerWaalsContact O-N 3.15Å; S493-D496 PolarHBondContact OG-N 2.92Å; S493-D496 PolarHBondContact OG-OD2 3.39Å; S493-V497 WeakPolarHBondContact O-CG2 3.1Å; S493-V497 PolarHBondContact O-N 2.8Å; S493-V497 VanDerWaalsContact O-N 3.11Å
494	S	91.6	Very high	92.9	Very high	17 Å²	17	52 Å²	52	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-28.6	173.5	58.5	0	0	0	0	114.4	A461 V466 K498	A461-S494 WeakPolarHBondContact O-CB 3.07Å; V466-S494 PolarHBondContact O-N 3.22Å; V466-S494 VanDerWaalsContact O-N 3.12Å; S494-K498 WeakPolarHBondContact O-CB 3.38Å; S494-K498 PolarHBondContact O-N 3.1Å
495	K	91.7	Very high	92.9	Very high	153 Å²	153	55 Å²	55	67%	0.665	29%	0.288	S	S	*	.	H	α-helix	trans	-68.8	-40.2	176	-63.9	179.3	-178.4	175.2	0	111.7	S493 S499	S493-K495 PolarHBondContact O-N 3.37Å; S493-K495 PolarHBondContact OG-N 2.84Å; K495-S499 WeakPolarHBondContact O-CB 3.37Å; K495-S499 PolarHBondContact O-N 3.49Å; K495-S499 PolarHBondContact O-OG 2.96Å
496	D	92.6	Very high	92.9	Very high	70 Å²	70	53.7 Å²	53.7	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-72	-44.3	179.3	-56.7	-54.7	0	0	0	110.6	H491 S493 K498 S499 A500	H491-D496 HydrophobicContact CB-CB 3.92Å; S493-D496 WeakPolarHBondContact CB-OD2 3.38Å; S493-D496 PolarHBondContact O-N 3.18Å; S493-D496 VanDerWaalsContact O-N 3.15Å; S493-D496 PolarHBondContact OG-N 2.92Å; S493-D496 PolarHBondContact OG-OD2 3.39Å; D496-K498 VanDerWaalsContact C-N 3.34Å; D496-K498 PolarHBondContact O-N 3.41Å; D496-S499 CarbonylContact O-C 3.51Å; D496-S499 PolarHBondContact O-N 3.45Å; D496-S499 VanDerWaalsContact O-N 3.1Å; D496-A500 WeakPolarHBondContact O-CB 3.23Å; D496-A500 PolarHBondContact O-N 2.92Å
497	V	93.9	Very high	92.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-55	-47.9	172.9	173.4	0	0	0	0	111	A461 V466 M473 H491 S493 S499 A500 I501	A461-V497 HydrophobicContact CB-CB 4.32Å; A461-V497 HydrophobicContact CB-CG1 3.69Å; V466-V497 HydrophobicContact CG1-CG2 4Å; M473-V497 HydrophobicContact SD-CG1 4.48Å; H491-V497 HydrophobicContact CB-CG2 3.58Å; S493-V497 WeakPolarHBondContact O-CG2 3.1Å; S493-V497 PolarHBondContact O-N 2.8Å; S493-V497 VanDerWaalsContact O-N 3.11Å; V497-S499 PolarHBondContact O-N 2.86Å; V497-A500 PolarHBondContact O-N 3.42Å; V497-I501 HydrophobicContact CG1-CD1 3.72Å; V497-I501 HydrophobicContact CG1-CG1 4.36Å; V497-I501 WeakPolarHBondContact O-CB 3.42Å; V497-I501 VanDerWaalsContact O-CG1 3.24Å; V497-I501 WeakPolarHBondContact O-CG1 3.16Å; V497-I501 PolarHBondContact O-N 3.15Å
498	K	95.1	Very high	92.8	Very high	69 Å²	69	57.7 Å²	57.7	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-45.5	174.4	179.2	166.5	-169.8	171.1	0	112.4	A458 Q462 S494 D496 A500 I501 D502	A458-K498 HydrophobicContact CB-CB 4.43Å; A458-K498 HydrophobicContact CB-CD 4.24Å; A458-K498 HydrophobicContact CB-CG 3.92Å; Q462-K498 VanDerWaalsContact CD-NZ 3.27Å; Q462-K498 HydrophobicContact CG-CD 4.34Å; Q462-K498 VanDerWaalsContact NE2-NZ 3.14Å; S494-K498 WeakPolarHBondContact O-CB 3.38Å; S494-K498 PolarHBondContact O-N 3.1Å; D496-K498 VanDerWaalsContact C-N 3.34Å; D496-K498 PolarHBondContact O-N 3.41Å; K498-A500 PolarHBondContact O-N 3.25Å; K498-I501 PolarHBondContact O-N 2.82Å; K498-D502 PolarHBondContact O-N 3.13Å; K498-D502 VanDerWaalsContact O-N 3.09Å
499	S	95.1	Very high	92.9	Very high	63 Å²	63	58.2 Å²	58.2	44%	0.441	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-18.3	179.7	-56.8	0	0	0	0	113.8	K495 D496 V497 K503	K495-S499 WeakPolarHBondContact O-CB 3.37Å; K495-S499 PolarHBondContact O-N 3.49Å; K495-S499 PolarHBondContact O-OG 2.96Å; D496-S499 CarbonylContact O-C 3.51Å; D496-S499 PolarHBondContact O-N 3.45Å; D496-S499 VanDerWaalsContact O-N 3.1Å; V497-S499 PolarHBondContact O-N 2.86Å; S499-K503 WeakPolarHBondContact O-CD 3.46Å; S499-K503 WeakPolarHBondContact O-CE 3.4Å; S499-K503 PolarHBondContact O-NZ 3.32Å
500	A	96.1	Very high	93.1	Very high	17 Å²	17	56.8 Å²	56.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-88	-43.9	170.8	0	0	0	0	0	111.7	I486 H491 D496 V497 K498 D502 K503 I504	I486-A500 HydrophobicContact CD1-CB 3.63Å; I486-A500 HydrophobicContact CG1-CB 4.33Å; H491-A500 WeakPolarHBondContact NE2-CB 3.36Å; D496-A500 WeakPolarHBondContact O-CB 3.23Å; D496-A500 PolarHBondContact O-N 2.92Å; V497-A500 PolarHBondContact O-N 3.42Å; K498-A500 PolarHBondContact O-N 3.25Å; A500-D502 VanDerWaalsContact C-N 3.29Å; A500-D502 PolarHBondContact O-N 3.44Å; A500-K503 WeakPolarHBondContact O-CB 3.24Å; A500-K503 PolarHBondContact O-N 3.49Å; A500-I504 PolarHBondContact O-N 3.48Å
501	I	97.2	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-50.1	-48.8	173.4	-74.9	164.3	0	0	0	111.1	K454 L457 A458 M473 I475 I486 V497 K498 K503 I504	K454-I501 HydrophobicContact CB-CG2 3.7Å; K454-I501 WeakPolarHBondContact CD-O 3.31Å; K454-I501 HydrophobicContact CG-CG2 4.31Å; K454-I501 PolarHBondContact NZ-O 3.03Å; K454-I501 VanDerWaalsContact O-CG2 3.28Å; K454-I501 WeakPolarHBondContact O-CG2 3.47Å; L457-I501 HydrophobicContact CB-CD1 3.93Å; A458-I501 HydrophobicContact CB-CD1 4.34Å; A458-I501 HydrophobicContact CB-CG2 4.44Å; M473-I501 HydrophobicContact CE-CD1 4.37Å; I475-I501 HydrophobicContact CD1-CD1 3.68Å; I475-I501 HydrophobicContact CD1-CG1 3.29Å; I486-I501 HydrophobicContact CD1-CG1 4.22Å; V497-I501 HydrophobicContact CG1-CD1 3.72Å; V497-I501 HydrophobicContact CG1-CG1 4.36Å; V497-I501 WeakPolarHBondContact O-CB 3.42Å; V497-I501 VanDerWaalsContact O-CG1 3.24Å; V497-I501 WeakPolarHBondContact O-CG1 3.16Å; V497-I501 PolarHBondContact O-N 3.15Å; K498-I501 PolarHBondContact O-N 2.82Å; I501-K503 PolarHBondContact O-N 2.96Å; I501-I504 WeakPolarHBondContact O-CB 3.49Å; I501-I504 PolarHBondContact O-N 2.04Å
502	D	95.7	Very high	93.5	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23	-177.9	-95.9	-45.5	0	0	0	113.8	K451 K454 K498 A500	K451-D502 IonicContact NZ-OD1 3.71Å; K451-D502 PolarHBondContact NZ-OD1 3.24Å; K454-D502 VanDerWaalsContact NZ-C 3.33Å; K454-D502 PolarHBondContact NZ-O 3.34Å; K498-D502 PolarHBondContact O-N 3.13Å; K498-D502 VanDerWaalsContact O-N 3.09Å; A500-D502 VanDerWaalsContact C-N 3.29Å; A500-D502 PolarHBondContact O-N 3.44Å
503	K	96.4	Very high	93.9	Very high	161 Å²	161	50.1 Å²	50.1	70%	0.7	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.4	177.3	-60.8	166.1	-173.7	157.2	0	114	S499 A500 I501 V505	S499-K503 WeakPolarHBondContact O-CD 3.46Å; S499-K503 WeakPolarHBondContact O-CE 3.4Å; S499-K503 PolarHBondContact O-NZ 3.32Å; A500-K503 WeakPolarHBondContact O-CB 3.24Å; A500-K503 PolarHBondContact O-N 3.49Å; I501-K503 PolarHBondContact O-N 2.96Å; K503-V505 PolarHBondContact O-N 2.92Å
504	I	96.6	Very high	94	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.046	26%	0.26	C	S	.	.			trans	-64	132.9	-179.8	-57.6	176.4	0	0	0	110.3	M439 F450 K454 I475 E485 A500 I501	M439-I504 HydrophobicContact SD-CD1 4.3Å; M439-I504 HydrophobicContact SD-CG2 4.31Å; F450-I504 HydrophobicContact CZ-CG2 4.09Å; K454-I504 HydrophobicContact CD-CB 4.06Å; K454-I504 PolarHBondContact NZ-O 2.94Å; I475-I504 HydrophobicContact CD1-CD1 4.36Å; I475-I504 HydrophobicContact CG2-CD1 4.01Å; E485-I504 HydrophobicContact CB-CD1 3.78Å; E485-I504 HydrophobicContact CB-CG1 4.06Å; E485-I504 HydrophobicContact CB-CG2 4.47Å; E485-I504 HydrophobicContact CG-CD1 4.23Å; E485-I504 HydrophobicContact CG-CG1 4.38Å; E485-I504 HydrophobicContact CG-CG2 3.87Å; A500-I504 PolarHBondContact O-N 3.48Å; I501-I504 WeakPolarHBondContact O-CB 3.49Å; I501-I504 PolarHBondContact O-N 2.04Å
505	V	95.6	Very high	94.2	Very high	103 Å²	103	52.7 Å²	52.7	62%	0.624	27%	0.271	S	S	*	.			trans	-113.1	139.3	-178.9	-178.5	0	0	0	0	109.9	Q477 K503 K507	Q477-V505 PolarHBondContact NE2-O 3.1Å; Q477-V505 PolarHBondContact OE1-O 2.98Å; K503-V505 PolarHBondContact O-N 2.92Å; V505-K507 PolarHBondContact O-N 2.97Å
506	Q	95.8	Very high	94.4	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.126	24%	0.239	C	C	.	.			trans	-61	126.6	-179.8	-159.2	-179.9	-4.6	0	0	111.1	S442 W443 F450 Q477	S442-Q506 PolarHBondContact O-NE2 3.06Å; W443-Q506 HydrophobicContact CE3-CG 4.38Å; W443-Q506 HydrophobicContact CZ3-CB 4.46Å; W443-Q506 HydrophobicContact CZ3-CG 3.97Å; F450-Q506 HydrophobicContact CB-CG 4.34Å; F450-Q506 HydrophobicContact CD1-CB 3.84Å; F450-Q506 HydrophobicContact CD1-CG 4.26Å; F450-Q506 HydrophobicContact CD2-CB 4.06Å; F450-Q506 HydrophobicContact CD2-CG 3.65Å; F450-Q506 HydrophobicContact CE1-CB 3.82Å; F450-Q506 HydrophobicContact CE1-CG 4.48Å; F450-Q506 VanDerWaalsContact CE1-N 3.35Å; F450-Q506 HydrophobicContact CE2-CB 4.01Å; F450-Q506 HydrophobicContact CE2-CG 3.87Å; F450-Q506 HydrophobicContact CG-CB 3.95Å; F450-Q506 HydrophobicContact CG-CG 3.83Å; F450-Q506 VanDerWaalsContact CZ-CA 3.47Å; F450-Q506 HydrophobicContact CZ-CB 3.9Å; F450-Q506 HydrophobicContact CZ-CG 4.29Å; Q477-Q506 VanDerWaalsContact OE1-CA 3.23Å
507	K	93.8	Very high	94.5	Very high	114 Å²	114	42 Å²	42	50%	0.496	22%	0.221	S	C	.	.			trans	-92.7	-55.9	-165.1	-70.5	-78.3	-177.8	178.6	0	115.7	W443 Q477 E485 V505	W443-K507 VanDerWaalsContact CH2-C 3.46Å; W443-K507 VanDerWaalsContact CH2-O 3.26Å; W443-K507 WeakPolarHBondContact CH2-O 3.45Å; Q477-K507 HydrophobicContact CG-CB 4.39Å; Q477-K507 HydrophobicContact CG-CG 4.09Å; E485-K507 WeakPolarHBondContact OE1-CE 2.98Å; E485-K507 IonicContact OE1-NZ 2.72Å; V505-K507 PolarHBondContact O-N 2.97Å
508	G	91.4	Very high	94.5	Very high	13 Å²	13	43.3 Å²	43.3	13%	0.134	23%	0.23	C	C	.	.			trans	162.1	150	-173.4	0	0	0	0	0	117.8	G441 W443 G479 D480	G441-G508 PolarHBondContact O-N 3.33Å; G441-G508 VanDerWaalsContact O-N 3.12Å; W443-G508 VanDerWaalsContact CH2-CA 3.42Å; W443-G508 VanDerWaalsContact CZ3-CA 3.46Å; W443-G508 VanDerWaalsContact CZ3-N 3.33Å; G479-G508 VanDerWaalsContact CA-O 3.22Å; G479-G508 WeakPolarHBondContact CA-O 3.43Å; D480-G508 PolarHBondContact N-O 3.43Å
509	G	92.1	Very high	94.5	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	22%	0.224	C	C	.	.	S	Bend	trans	91.7	-146	145.3	0	0	0	0	0	116	S442 W443 D480	S442-G509 WeakPolarHBondContact CA-O 3.26Å; S442-G509 WeakPolarHBondContact CB-O 3.39Å; W443-G509 PolarHBondContact N-O 3.13Å; D480-G509 WeakPolarHBondContact OD1-CA 3.44Å; D480-G509 VanDerWaalsContact OD2-CA 3.29Å; D480-G509 WeakPolarHBondContact OD2-CA 3.15Å
510	M	90.4	Very high	94.4	Very high	108 Å²	108	39.2 Å²	39.2	53%	0.532	20%	0.203	S	C	.	.			trans	-91.5	153.4	-174.7	-56.2	-71.1	-79.4	0	0	111.8	G479 D480 N512 T548	G479-M510 CarbonylContact C-O 3.04Å; G479-M510 WeakPolarHBondContact CA-O 3.03Å; G479-M510 VanDerWaalsContact O-O 3.1Å; D480-M510 WeakPolarHBondContact OD1-CG 3.33Å; D480-M510 PolarHBondContact OD1-N 2.76Å; M510-N512 VanDerWaalsContact C-N 3.34Å; M510-N512 PolarHBondContact O-N 3.11Å; M510-N512 PolarHBondContact O-ND2 3.17Å; M510-T548 HydrophobicContact CB-CG2 4.17Å; M510-T548 WeakPolarHBondContact CB-OG1 3.5Å; M510-T548 HydrophobicContact CE-CG2 3.87Å
511	S	91.3	Very high	94.1	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.063	20%	0.203	C	C	.	.			trans	-83.3	69.5	-178.3	-167.7	0	0	0	0	112.3	D440 Y478 V513 T548	D440-S511 PolarHBondContact OD2-OG 3.31Å; Y478-S511 WeakPolarHBondContact CE2-OG 3.48Å; Y478-S511 PolarHBondContact OH-OG 3.17Å; S511-V513 PolarHBondContact O-N 3.3Å; S511-V513 VanDerWaalsContact O-N 3.12Å; S511-T548 PolarHBondContact N-OG1 3.14Å; S511-T548 PolarHBondContact O-N 3.19Å; S511-T548 PolarHBondContact O-OG1 3.16Å
512	N	93.9	Very high	93.6	Very high	18 Å²	18	46.3 Å²	46.3	10%	0.096	23%	0.232	C	C	.	.			trans	-84.5	79.5	-176.3	-56.2	-65.5	0	0	0	112.8	G479 D480 M510 K515 A516 T548 D549	G479-N512 WeakPolarHBondContact O-CB 3.46Å; G479-N512 PolarHBondContact O-ND2 2.98Å; D480-N512 WeakPolarHBondContact CA-ND2 3.49Å; M510-N512 VanDerWaalsContact C-N 3.34Å; M510-N512 PolarHBondContact O-N 3.11Å; M510-N512 PolarHBondContact O-ND2 3.17Å; N512-K515 HydrophobicContact CB-CB 4.08Å; N512-K515 HydrophobicContact CB-CD 4.03Å; N512-K515 HydrophobicContact CB-CG 4.06Å; N512-A516 PolarHBondContact O-N 2.88Å; N512-T548 PolarHBondContact N-OG1 3.44Å; N512-T548 PolarHBondContact OD1-OG1 2.88Å; N512-D549 VanDerWaalsContact C-OD1 3.3Å; N512-D549 WeakPolarHBondContact CA-OD1 3.34Å; N512-D549 HydrophobicContact CB-CB 4.42Å
513	V	94.3	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-38.3	177.8	175.8	0	0	0	0	112	Y478 S511 A516 L517 V541 V543 P547 D549 V551 F567	Y478-V513 HydrophobicContact CE2-CB 4.5Å; Y478-V513 HydrophobicContact CE2-CG2 3.6Å; Y478-V513 WeakPolarHBondContact OH-CG2 3.27Å; S511-V513 PolarHBondContact O-N 3.3Å; S511-V513 VanDerWaalsContact O-N 3.12Å; V513-A516 WeakPolarHBondContact O-CB 3.27Å; V513-A516 PolarHBondContact O-N 2.02Å; V513-L517 HydrophobicContact CG1-CD1 3.81Å; V513-L517 HydrophobicContact CG1-CG 4.2Å; V513-L517 WeakPolarHBondContact O-CG 3.41Å; V513-L517 PolarHBondContact O-N 3.41Å; V513-V541 HydrophobicContact CG1-CG1 3.94Å; V513-V541 HydrophobicContact CG2-CG1 4.33Å; V513-V543 HydrophobicContact CG2-CG2 4.28Å; V513-P547 HydrophobicContact CB-CB 4.09Å; V513-P547 HydrophobicContact CB-CG 4.28Å; V513-P547 HydrophobicContact CG2-CB 4.01Å; V513-P547 HydrophobicContact CG2-CG 3.99Å; V513-D549 PolarHBondContact N-OD1 3.06Å; V513-V551 HydrophobicContact CB-CG2 3.96Å; V513-V551 HydrophobicContact CG1-CG1 4.21Å; V513-V551 HydrophobicContact CG1-CG2 4.08Å; V513-F567 HydrophobicContact CG1-CE1 4.05Å; V513-F567 HydrophobicContact CG1-CZ 4.13Å
514	G	94.1	Very high	92.7	Very high	5 Å²	5	40.3 Å²	40.3	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-45.8	179.8	0	0	0	0	0	112.7	A516 L517 S518 D549 K550 A554	G514-A516 VanDerWaalsContact C-N 3.33Å; G514-A516 PolarHBondContact O-N 2.94Å; G514-L517 PolarHBondContact O-N 3.01Å; G514-S518 WeakPolarHBondContact O-CB 3.46Å; G514-S518 PolarHBondContact O-N 3.42Å; G514-D549 WeakPolarHBondContact CA-OD2 3.06Å; G514-D549 VanDerWaalsContact N-CG 3.32Å; G514-D549 PolarHBondContact N-OD1 3.24Å; G514-D549 PolarHBondContact N-OD2 3.3Å; G514-D549 VanDerWaalsContact N-OD2 3.12Å; G514-K550 WeakPolarHBondContact CA-O 3.27Å; G514-A554 WeakPolarHBondContact O-CB 3.31Å
515	K	95	Very high	92.3	Very high	77 Å²	77	40.9 Å²	40.9	34%	0.335	21%	0.206	S	C	.	.	H	α-helix	trans	-55.6	-47.4	170.4	-73.8	-168.4	-176.4	-173.6	0	111.7	D480 E481 N512 L517 S518 Y519 D549	D480-K515 WeakPolarHBondContact O-CD 3.3Å; D480-K515 PolarHBondContact O-NZ 2.79Å; E481-K515 IonicContact OE1-NZ 3.83Å; E481-K515 PolarHBondContact OE1-NZ 2.95Å; N512-K515 HydrophobicContact CB-CB 4.08Å; N512-K515 HydrophobicContact CB-CD 4.03Å; N512-K515 HydrophobicContact CB-CG 4.06Å; K515-L517 PolarHBondContact O-N 3.14Å; K515-S518 WeakPolarHBondContact O-CB 3.4Å; K515-S518 PolarHBondContact O-N 2.9Å; K515-Y519 PolarHBondContact O-N 3.12Å; K515-D549 PolarHBondContact N-OD2 3.45Å
516	A	96	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-41	-178.3	0	0	0	0	0	112.4	L438 Y478 P482 N512 V513 G514 Y519 I520	L438-A516 HydrophobicContact CD1-CB 3.75Å; L438-A516 HydrophobicContact CD2-CB 4.3Å; Y478-A516 HydrophobicContact CD1-CB 4.45Å; Y478-A516 HydrophobicContact CD2-CB 4.44Å; Y478-A516 HydrophobicContact CG-CB 3.94Å; P482-A516 HydrophobicContact CB-CB 4.29Å; N512-A516 PolarHBondContact O-N 2.88Å; V513-A516 WeakPolarHBondContact O-CB 3.27Å; V513-A516 PolarHBondContact O-N 2.02Å; G514-A516 VanDerWaalsContact C-N 3.33Å; G514-A516 PolarHBondContact O-N 2.94Å; A516-Y519 WeakPolarHBondContact O-CB 3.33Å; A516-Y519 PolarHBondContact O-N 3.15Å; A516-I520 PolarHBondContact O-N 3.16Å
517	L	95.1	Very high	90.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-35.2	172.9	-69.8	173.9	0	0	0	112.4	L438 V513 G514 K515 I520 N521 V541 V551 A554 S555 I565 F567	L438-L517 HydrophobicContact CD1-CD2 3.73Å; L438-L517 HydrophobicContact CD1-CG 4.09Å; V513-L517 HydrophobicContact CG1-CD1 3.81Å; V513-L517 HydrophobicContact CG1-CG 4.2Å; V513-L517 WeakPolarHBondContact O-CG 3.41Å; V513-L517 PolarHBondContact O-N 3.41Å; G514-L517 PolarHBondContact O-N 3.01Å; K515-L517 PolarHBondContact O-N 3.14Å; L517-I520 HydrophobicContact CD2-CD1 3.73Å; L517-I520 WeakPolarHBondContact O-CG1 3.45Å; L517-N521 PolarHBondContact O-N 3.05Å; L517-V541 HydrophobicContact CD2-CG2 4.18Å; L517-V551 HydrophobicContact CD1-CG1 3.9Å; L517-A554 HydrophobicContact CB-CB 3.96Å; L517-S555 VanDerWaalsContact CD1-OG 3.23Å; L517-S555 WeakPolarHBondContact CD1-OG 3.28Å; L517-I565 HydrophobicContact CD2-CD1 4.1Å; L517-I565 HydrophobicContact CD2-CG1 4.41Å; L517-I565 HydrophobicContact CD2-CG2 4.14Å; L517-F567 HydrophobicContact CD1-CZ 4.34Å
518	S	93.8	Very high	90	Very high	28 Å²	28	39.4 Å²	39.4	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-37.7	172.3	-142	0	0	0	0	112.3	G514 K515 K522	G514-S518 WeakPolarHBondContact O-CB 3.46Å; G514-S518 PolarHBondContact O-N 3.42Å; K515-S518 WeakPolarHBondContact O-CB 3.4Å; K515-S518 PolarHBondContact O-N 2.9Å; S518-K522 WeakPolarHBondContact O-CB 3.33Å; S518-K522 WeakPolarHBondContact O-CD 3.41Å; S518-K522 VanDerWaalsContact O-CG 3.29Å; S518-K522 WeakPolarHBondContact O-CG 3.41Å; S518-K522 PolarHBondContact O-N 2.97Å; S518-K522 VanDerWaalsContact O-N 3.09Å; S518-K522 WeakPolarHBondContact OG-CE 3.37Å; S518-K522 PolarHBondContact OG-NZ 3.22Å
519	Y	94.7	Very high	89.5	Confident	45 Å²	45	40.9 Å²	40.9	18%	0.176	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-44.1	178.2	175.2	-97.6	0	0	0	112.6	I476 P482 T484 K515 A516 N521 K522 Q523 Y524	I476-Y519 HydrophobicContact CD1-CD1 4.22Å; I476-Y519 HydrophobicContact CD1-CE1 4.12Å; I476-Y519 HydrophobicContact CG1-CE1 4.41Å; I476-Y519 HydrophobicContact CG2-CD1 4.13Å; I476-Y519 HydrophobicContact CG2-CE1 4.04Å; P482-Y519 HydrophobicContact CB-CD1 4.13Å; P482-Y519 HydrophobicContact CB-CG 4.09Å; P482-Y519 VanDerWaalsContact CG-CB 3.47Å; P482-Y519 HydrophobicContact CG-CD1 4.22Å; P482-Y519 HydrophobicContact CG-CD2 4Å; P482-Y519 HydrophobicContact CG-CG 3.65Å; T484-Y519 PolarHBondContact OG1-OH 3.18Å; K515-Y519 PolarHBondContact O-N 3.12Å; A516-Y519 WeakPolarHBondContact O-CB 3.33Å; A516-Y519 PolarHBondContact O-N 3.15Å; Y519-N521 VanDerWaalsContact C-N 3.28Å; Y519-N521 PolarHBondContact O-N 3.02Å; Y519-K522 PolarHBondContact O-N 3.32Å; Y519-Q523 HydrophobicContact CD2-CB 4.45Å; Y519-Q523 HydrophobicContact CE2-CB 4.27Å; Y519-Q523 VanDerWaalsContact CE2-OE1 3.23Å; Y519-Q523 PolarHBondContact O-N 3.05Å; Y519-Y524 HydrophobicContact CE1-CD2 4.41Å; Y519-Y524 PolarHBondContact O-N 3.24Å
520	I	93.3	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-62.5	-37.2	179.1	54.7	171	0	0	0	113.2	L438 I476 A516 L517 Y524 F525 A539 I563	L438-I520 HydrophobicContact CD1-CD1 4.47Å; L438-I520 HydrophobicContact CD2-CG2 3.78Å; I476-I520 HydrophobicContact CD1-CG2 3.31Å; A516-I520 PolarHBondContact O-N 3.16Å; L517-I520 HydrophobicContact CD2-CD1 3.73Å; L517-I520 WeakPolarHBondContact O-CG1 3.45Å; I520-Y524 HydrophobicContact CG2-CG 4.4Å; I520-Y524 PolarHBondContact O-N 3.37Å; I520-F525 HydrophobicContact CB-CD2 4.14Å; I520-F525 HydrophobicContact CB-CE2 4.18Å; I520-F525 HydrophobicContact CD1-CE2 4.3Å; I520-F525 PolarHBondContact O-N 3.4Å; I520-F525 VanDerWaalsContact O-N 3.11Å; I520-A539 HydrophobicContact CD1-CB 3.46Å; I520-A539 VanDerWaalsContact CD1-CB 3.46Å; I520-I563 HydrophobicContact CD1-CD1 4.31Å; I520-I563 HydrophobicContact CD1-CG2 4.33Å; I520-I563 HydrophobicContact CG1-CD1 4.35Å
521	N	88.9	Confident	88.8	Confident	24 Å²	24	35.4 Å²	35.4	13%	0.128	19%	0.193	C	C	.	.	I	π-helix	trans	-70.6	-46.3	177.9	-172.6	0.7	0	0	0	111.4	L517 Y519 L557 A558 S561 I563	L517-N521 PolarHBondContact O-N 3.05Å; Y519-N521 VanDerWaalsContact C-N 3.28Å; Y519-N521 PolarHBondContact O-N 3.02Å; N521-L557 PolarHBondContact ND2-O 3.42Å; N521-A558 HydrophobicContact CB-CB 4.35Å; N521-A558 PolarHBondContact ND2-N 2.95Å; N521-S561 PolarHBondContact ND2-OG 3.15Å; N521-S561 WeakPolarHBondContact OD1-CB 3.4Å; N521-S561 PolarHBondContact OD1-OG 2.92Å; N521-I563 HydrophobicContact CB-CD1 4.21Å
522	K	86.5	Confident	88.4	Confident	143 Å²	143	37 Å²	37	62%	0.622	20%	0.198	S	C	*	.	I	π-helix	trans	-77.6	-25.3	-174	-71	167.4	-179.9	161.1	0	114.6	S518 Y519	S518-K522 WeakPolarHBondContact O-CB 3.33Å; S518-K522 WeakPolarHBondContact O-CD 3.41Å; S518-K522 VanDerWaalsContact O-CG 3.29Å; S518-K522 WeakPolarHBondContact O-CG 3.41Å; S518-K522 PolarHBondContact O-N 2.97Å; S518-K522 VanDerWaalsContact O-N 3.09Å; S518-K522 WeakPolarHBondContact OG-CE 3.37Å; S518-K522 PolarHBondContact OG-NZ 3.22Å; Y519-K522 PolarHBondContact O-N 3.32Å
523	Q	84.3	Confident	87.6	Confident	109 Å²	109	36.1 Å²	36.1	51%	0.509	19%	0.193	S	C	.	.	I	π-helix	trans	-138.4	-43.7	-170.1	-59.2	-172.3	12.3	0	0	114	Y519 S526 N529	Y519-Q523 HydrophobicContact CD2-CB 4.45Å; Y519-Q523 HydrophobicContact CE2-CB 4.27Å; Y519-Q523 VanDerWaalsContact CE2-OE1 3.23Å; Y519-Q523 PolarHBondContact O-N 3.05Å; Q523-S526 PolarHBondContact O-OG 2.98Å; Q523-N529 PolarHBondContact O-ND2 2.88Å
524	Y	89.8	Confident	86.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-73.3	-49.1	-165.4	-165.8	-97	0	0	0	114.4	A436 G474 I476 T484 I486 S487 L488 Y519 I520 S526 N529	A436-Y524 HydrophobicContact CB-CD1 3.77Å; A436-Y524 HydrophobicContact CB-CE1 3.64Å; G474-Y524 WeakPolarHBondContact CA-OH 3.22Å; I476-Y524 HydrophobicContact CD1-CD1 3.96Å; I476-Y524 HydrophobicContact CD1-CD2 3.5Å; I476-Y524 VanDerWaalsContact CD1-CD2 3.5Å; I476-Y524 HydrophobicContact CD1-CE1 4.36Å; I476-Y524 HydrophobicContact CD1-CE2 3.93Å; I476-Y524 HydrophobicContact CD1-CG 3.53Å; I476-Y524 HydrophobicContact CG1-CD2 3.86Å; I476-Y524 HydrophobicContact CG1-CE2 3.88Å; I476-Y524 HydrophobicContact CG1-CG 4.37Å; T484-Y524 HydrophobicContact CG2-CD2 4.43Å; T484-Y524 HydrophobicContact CG2-CE2 3.78Å; T484-Y524 WeakPolarHBondContact OG1-CD2 3.5Å; I486-Y524 PolarHBondContact O-OH 2.78Å; S487-Y524 VanDerWaalsContact CA-OH 3.29Å; S487-Y524 WeakPolarHBondContact CA-OH 3.37Å; L488-Y524 HydrophobicContact CD1-CE1 4.22Å; L488-Y524 HydrophobicContact CD2-CE1 4.12Å; L488-Y524 HydrophobicContact CG-CE1 3.82Å; L488-Y524 PolarHBondContact N-OH 3.07Å; L488-Y524 VanDerWaalsContact N-OH 3.17Å; Y519-Y524 HydrophobicContact CE1-CD2 4.41Å; Y519-Y524 PolarHBondContact O-N 3.24Å; I520-Y524 HydrophobicContact CG2-CG 4.4Å; I520-Y524 PolarHBondContact O-N 3.37Å; Y524-S526 PolarHBondContact O-N 2.74Å; Y524-N529 WeakPolarHBondContact O-CB 3.28Å
525	F	88.6	Confident	86.5	Confident	21 Å²	21	37.2 Å²	37.2	9%	0.092	20%	0.204	C	C	.	.	S	Bend	trans	-80.2	68.4	177.7	-72.1	-68.1	0	0	0	111.2	D434 A436 L488 I520 N537 I563	D434-F525 HydrophobicContact CB-CE1 4.43Å; D434-F525 WeakPolarHBondContact O-CE1 3.06Å; A436-F525 HydrophobicContact CB-CE1 4.26Å; A436-F525 HydrophobicContact CB-CE2 4.03Å; A436-F525 HydrophobicContact CB-CZ 3.55Å; L488-F525 HydrophobicContact CD1-CD1 4.36Å; I520-F525 HydrophobicContact CB-CD2 4.14Å; I520-F525 HydrophobicContact CB-CE2 4.18Å; I520-F525 HydrophobicContact CD1-CE2 4.3Å; I520-F525 PolarHBondContact O-N 3.4Å; I520-F525 VanDerWaalsContact O-N 3.11Å; F525-N537 HydrophobicContact CD1-CB 3.91Å; F525-N537 HydrophobicContact CE1-CB 3.88Å; F525-N537 HydrophobicContact CG-CB 4.24Å; F525-N537 HydrophobicContact CZ-CB 4.19Å; F525-I563 HydrophobicContact CD2-CD1 3.6Å; F525-I563 HydrophobicContact CD2-CG1 3.85Å; F525-I563 HydrophobicContact CD2-CG2 4.45Å; F525-I563 HydrophobicContact CE2-CD1 4.05Å; F525-I563 HydrophobicContact CE2-CG1 4.12Å; F525-I563 HydrophobicContact CE2-CG2 3.86Å
526	S	82.9	Confident	86.3	Confident	42 Å²	42	34.4 Å²	34.4	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-134.2	156	177	62.7	0	0	0	0	111.3	Q523 Y524 A528 N529 G530 N531	Q523-S526 PolarHBondContact O-OG 2.98Å; Y524-S526 PolarHBondContact O-N 2.74Å; S526-A528 PolarHBondContact O-N 3.12Å; S526-N529 CarbonylContact O-C 3.55Å; S526-N529 PolarHBondContact O-N 2.85Å; S526-G530 PolarHBondContact O-N 2.87Å; S526-G530 VanDerWaalsContact O-N 3.15Å; S526-N531 WeakPolarHBondContact O-CB 3.07Å; S526-N531 PolarHBondContact O-N 3.32Å; S526-N531 VanDerWaalsContact O-N 3.08Å
527	D	76.9	Confident	86.1	Confident	71 Å²	71	34.4 Å²	34.4	38%	0.38	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58	-34.9	-180	-67.3	-16.6	0	0	0	112.6	N529 G530 N814	D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 2.84Å; D527-G530 WeakPolarHBondContact O-CA 2.9Å; D527-G530 PolarHBondContact O-N 3.27Å; D527-N814 WeakPolarHBondContact OD2-CB 3.34Å
528	A	76.6	Confident	86.1	Confident	99 Å²	99	34.4 Å²	34.4	82%	0.818	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.6	-31.9	177	0	0	0	0	0	113.2	S526 G530	S526-A528 PolarHBondContact O-N 3.12Å; A528-G530 VanDerWaalsContact C-N 3.32Å
529	N	80.8	Confident	86.3	Confident	44 Å²	44	33.1 Å²	33.1	24%	0.235	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-91.6	3.7	172.7	-77.8	-41.6	0	0	0	112.8	L488 Q523 Y524 S526 D527	L488-N529 PolarHBondContact N-O 2.93Å; L488-N529 VanDerWaalsContact N-O 3.16Å; Q523-N529 PolarHBondContact O-ND2 2.88Å; Y524-N529 WeakPolarHBondContact O-CB 3.28Å; S526-N529 CarbonylContact O-C 3.55Å; S526-N529 PolarHBondContact O-N 2.85Å; D527-N529 VanDerWaalsContact C-N 3.29Å; D527-N529 PolarHBondContact O-N 2.84Å
530	G	81.1	Confident	86.4	Confident	4 Å²	4	31 Å²	31	4%	0.041	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	11.5	169.7	0	0	0	0	0	116	M472 R489 S526 D527 A528	M472-G530 VanDerWaalsContact CE-O 3.27Å; M472-G530 WeakPolarHBondContact CE-O 3.47Å; R489-G530 PolarHBondContact NE-O 3.44Å; R489-G530 PolarHBondContact NH2-O 2.91Å; S526-G530 PolarHBondContact O-N 2.87Å; S526-G530 VanDerWaalsContact O-N 3.15Å; D527-G530 WeakPolarHBondContact O-CA 2.9Å; D527-G530 PolarHBondContact O-N 3.27Å; A528-G530 VanDerWaalsContact C-N 3.32Å
531	N	86.4	Confident	86.6	Confident	4 Å²	4	31 Å²	31	2%	0.021	18%	0.177	C	C	.	.			trans	-56.5	153.1	178.5	-167.1	-138.7	0	0	0	112.2	D434 L488 R489 S526 N537	D434-N531 WeakPolarHBondContact OD2-CA 3.37Å; D434-N531 PolarHBondContact OD2-ND2 2.9Å; L488-N531 HydrophobicContact CD1-CB 4.15Å; R489-N531 PolarHBondContact NH2-O 3.15Å; S526-N531 WeakPolarHBondContact O-CB 3.07Å; S526-N531 PolarHBondContact O-N 3.32Å; S526-N531 VanDerWaalsContact O-N 3.08Å; N531-N537 PolarHBondContact ND2-OD1 2.95Å; N531-N537 PolarHBondContact OD1-ND2 3.36Å
532	R	84.5	Confident	86.9	Confident	42 Å²	42	29.8 Å²	29.8	16%	0.158	17%	0.17	C	C	.	.			trans	-101.1	-29.1	174.4	-74.2	179.7	-63.6	-166.7	0.5	113.6	V433 D434 M468 G470 M472 G534 A535 N814	V433-R532 PolarHBondContact O-NH2 2.81Å; D434-R532 IonicContact OD1-CZ 3.66Å; D434-R532 IonicContact OD1-NE 3.45Å; D434-R532 PolarHBondContact OD1-NE 3.33Å; D434-R532 IonicContact OD1-NH2 2.66Å; D434-R532 PolarHBondContact OD1-NH2 3.37Å; D434-R532 PolarHBondContact OD2-N 3.05Å; M468-R532 PolarHBondContact O-NH1 3.22Å; M468-R532 VanDerWaalsContact O-NH1 3.16Å; G470-R532 VanDerWaalsContact O-CZ 3.24Å; G470-R532 PolarHBondContact O-NH1 3.22Å; G470-R532 PolarHBondContact O-NH2 2.87Å; M472-R532 HydrophobicContact CE-CG 3.66Å; R532-G534 PolarHBondContact O-N 2.89Å; R532-A535 HydrophobicContact CB-CB 4.05Å; R532-N814 PolarHBondContact O-ND2 2.75Å
533	G	76.4	Confident	87.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	62.6	-23.6	178.3	0	0	0	0	0	117.2	A535 T630 C631 N814	G533-A535 VanDerWaalsContact C-N 3.28Å; G533-T630 CarbonylContact O-C 3.54Å; G533-T630 WeakPolarHBondContact O-CA 3.17Å; G533-T630 WeakPolarHBondContact O-CB 3.47Å; G533-C631 PolarHBondContact O-N 2.8Å; G533-C631 VanDerWaalsContact O-N 3.1Å; G533-N814 WeakPolarHBondContact CA-OD1 3.39Å
534	G	77.4	Confident	87.4	Confident	27 Å²	27	18.9 Å²	18.9	28%	0.278	12%	0.123	S	C	.	.	S	Bend	trans	-85.9	5.2	158.8	0	0	0	0	0	113.8	R532 C631	R532-G534 PolarHBondContact O-N 2.89Å; G534-C631 WeakPolarHBondContact CA-SG 3.31Å
535	A	87.3	Confident	87	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.008	13%	0.125	C	C	.	.	S	Bend	trans	-112.1	145.5	170.1	0	0	0	0	0	108.8	K432 D434 R532 G533 N537	K432-A535 WeakPolarHBondContact O-CB 3.47Å; D434-A535 WeakPolarHBondContact OD1-CB 3.04Å; R532-A535 HydrophobicContact CB-CB 4.05Å; G533-A535 VanDerWaalsContact C-N 3.28Å; A535-N537 PolarHBondContact O-N 3.05Å
536	P	90.7	Very high	86.7	Confident	18 Å²	18	20.2 Å²	20.2	12%	0.117	13%	0.128	C	C	.	.			trans	-60.2	132.4	172.8	-24.7	34.5	0	0	0	112.1	K432 V433 D434 T622 L625 S628 T630	K432-P536 WeakPolarHBondContact O-CD 3.4Å; V433-P536 HydrophobicContact CG1-CB 4.04Å; V433-P536 HydrophobicContact CG1-CG 4.05Å; D434-P536 PolarHBondContact N-O 2.86Å; P536-T622 HydrophobicContact CG-CG2 4.29Å; P536-L625 HydrophobicContact CB-CB 4.33Å; P536-L625 HydrophobicContact CB-CD1 3.54Å; P536-L625 HydrophobicContact CG-CD1 4.05Å; P536-S628 VanDerWaalsContact CA-OG 3.31Å; P536-S628 WeakPolarHBondContact CA-OG 3.26Å; P536-S628 WeakPolarHBondContact CB-OG 3.29Å; P536-T630 HydrophobicContact CG-CG2 4.4Å
537	N	92.8	Very high	87	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.6	176	-70.4	-5.3	0	0	0	109.3	F525 N531 A535 I563 N564 S628	F525-N537 HydrophobicContact CD1-CB 3.91Å; F525-N537 HydrophobicContact CE1-CB 3.88Å; F525-N537 HydrophobicContact CG-CB 4.24Å; F525-N537 HydrophobicContact CZ-CB 4.19Å; N531-N537 PolarHBondContact ND2-OD1 2.95Å; N531-N537 PolarHBondContact OD1-ND2 3.36Å; A535-N537 PolarHBondContact O-N 3.05Å; N537-I563 HydrophobicContact CB-CG1 4.36Å; N537-N564 PolarHBondContact O-N 3.47Å; N537-S628 PolarHBondContact N-OG 2.79Å; N537-S628 PolarHBondContact O-OG 2.72Å
538	V	95.3	Very high	87.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.1	-174.9	-173.5	0	0	0	0	110.4	D434 L435 A436 V540 N564 F566 V619 L625	D434-V538 PolarHBondContact O-N 3.08Å; L435-V538 CarbonylContact C-O 3.54Å; L435-V538 WeakPolarHBondContact CA-O 3.48Å; A436-V538 PolarHBondContact N-O 3.42Å; V538-V540 HydrophobicContact CG1-CG2 4.19Å; V538-N564 CarbonylContact C-O 3.57Å; V538-N564 WeakPolarHBondContact CA-O 3.49Å; V538-N564 HydrophobicContact CG2-CB 4.47Å; V538-F566 HydrophobicContact CG1-CD2 3.55Å; V538-F566 HydrophobicContact CG1-CE2 3.69Å; V538-V619 HydrophobicContact CB-CG1 4.34Å; V538-V619 HydrophobicContact CG1-CG1 4Å; V538-V619 HydrophobicContact CG1-CG2 4.16Å; V538-V619 HydrophobicContact CG2-CG1 4.29Å; V538-L625 HydrophobicContact CG2-CD1 3.81Å; V538-L625 HydrophobicContact CG2-CD2 4.33Å
539	A	96.8	Very high	88.3	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.5	170.2	0	0	0	0	0	109.6	A436 I520 I563 N564 I565 F566	A436-A539 CarbonylContact O-C 3.39Å; A436-A539 WeakPolarHBondContact O-CA 3.36Å; I520-A539 HydrophobicContact CD1-CB 3.46Å; I520-A539 VanDerWaalsContact CD1-CB 3.46Å; A539-I563 HydrophobicContact CB-CG2 3.77Å; A539-N564 PolarHBondContact N-O 3.16Å; A539-I565 WeakPolarHBondContact O-CA 3.3Å; A539-F566 PolarHBondContact O-N 2.87Å
540	V	97.7	Very high	88.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.4	174.7	-173.4	0	0	0	0	108.7	A436 F437 L438 V538 L542 F566 V568 L615 V619	A436-V540 PolarHBondContact O-N 3.49Å; F437-V540 CarbonylContact C-O 3.55Å; F437-V540 WeakPolarHBondContact CA-O 3.45Å; F437-V540 HydrophobicContact CD1-CB 3.68Å; F437-V540 HydrophobicContact CD1-CG1 3.92Å; F437-V540 HydrophobicContact CD1-CG2 4.46Å; F437-V540 HydrophobicContact CE1-CB 3.58Å; F437-V540 HydrophobicContact CE1-CG1 3.58Å; F437-V540 HydrophobicContact CE1-CG2 3.99Å; F437-V540 HydrophobicContact CG-CB 4.33Å; F437-V540 HydrophobicContact CZ-CB 4.13Å; F437-V540 HydrophobicContact CZ-CG1 4.4Å; F437-V540 HydrophobicContact CZ-CG2 4.04Å; L438-V540 PolarHBondContact N-O 3.28Å; V538-V540 HydrophobicContact CG1-CG2 4.19Å; V540-L542 HydrophobicContact CG1-CD2 4.43Å; V540-F566 HydrophobicContact CG1-CB 4.38Å; V540-F566 HydrophobicContact CG2-CB 4.32Å; V540-V568 HydrophobicContact CG1-CG2 3.86Å; V540-L615 HydrophobicContact CG1-CD1 3.95Å; V540-L615 HydrophobicContact CG1-CD2 4.06Å; V540-L615 HydrophobicContact CG2-CD1 4.17Å; V540-V619 HydrophobicContact CG2-CG2 4.42Å
541	V	97.3	Very high	89.3	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.7	-177.4	-165.8	0	0	0	0	109.8	L438 V513 L517 I565 F566 F567 V568	L438-V541 HydrophobicContact CB-CG1 4.25Å; L438-V541 HydrophobicContact CB-CG2 4.45Å; L438-V541 HydrophobicContact CD1-CG2 4.07Å; V513-V541 HydrophobicContact CG1-CG1 3.94Å; V513-V541 HydrophobicContact CG2-CG1 4.33Å; L517-V541 HydrophobicContact CD2-CG2 4.18Å; V541-I565 HydrophobicContact CG2-CG2 3.96Å; V541-F566 PolarHBondContact N-O 3.02Å; V541-F567 HydrophobicContact CB-CD1 3.89Å; V541-F567 HydrophobicContact CB-CE1 3.87Å; V541-F567 HydrophobicContact CB-CG 4.4Å; V541-F567 HydrophobicContact CB-CZ 4.35Å; V541-F567 HydrophobicContact CG1-CD1 4.16Å; V541-F567 HydrophobicContact CG1-CE1 3.83Å; V541-F567 HydrophobicContact CG2-CD1 4.43Å; V541-F567 HydrophobicContact CG2-CE1 4.12Å; V541-F567 HydrophobicContact CG2-CE2 4.36Å; V541-F567 HydrophobicContact CG2-CZ 4.09Å; V541-V568 PolarHBondContact O-N 3Å
542	L	95.9	Very high	89.3	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	168.6	-47.7	-174.1	0	0	0	108	L438 M439 Q453 F456 L457 Y478 V540 V568	L438-L542 PolarHBondContact O-N 3.19Å; M439-L542 HydrophobicContact CB-CD1 4.42Å; Q453-L542 HydrophobicContact CB-CD1 4.3Å; Q453-L542 HydrophobicContact CG-CD1 4.2Å; F456-L542 HydrophobicContact CD1-CD1 4.15Å; F456-L542 HydrophobicContact CD1-CD2 4.41Å; F456-L542 HydrophobicContact CE1-CD1 4.4Å; F456-L542 HydrophobicContact CE1-CD2 3.89Å; L457-L542 HydrophobicContact CD2-CD1 4.21Å; L457-L542 HydrophobicContact CG-CD1 4.34Å; Y478-L542 PolarHBondContact OH-O 2.89Å; V540-L542 HydrophobicContact CG1-CD2 4.43Å; L542-V568 HydrophobicContact CD2-CB 3.74Å; L542-V568 HydrophobicContact CD2-CG1 4.26Å; L542-V568 HydrophobicContact CD2-CG2 3.93Å
543	V	92.3	Very high	89.4	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.7	-179	66.1	0	0	0	0	111.9	V513 F567 V568 T569 I570 F586	V513-V543 HydrophobicContact CG2-CG2 4.28Å; V543-F567 HydrophobicContact CG1-CD1 4.24Å; V543-V568 PolarHBondContact N-O 2.88Å; V543-T569 HydrophobicContact CG1-CG2 3.78Å; V543-I570 PolarHBondContact O-N 2.99Å; V543-F586 HydrophobicContact CG1-CE2 4.37Å; V543-F586 HydrophobicContact CG1-CZ 4.32Å
544	D	87.6	Confident	90.1	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.112	13%	0.134	C	C	.	.	S	Bend	trans	-112.3	67.9	-174.7	-165.5	30.3	0	0	0	109.5	I445 R449 W605	I445-D544 HydrophobicContact CG2-CB 3.7Å; I445-D544 WeakPolarHBondContact CG2-OD2 3.42Å; R449-D544 WeakPolarHBondContact CD-OD2 3.43Å; R449-D544 IonicContact CZ-OD1 2.69Å; R449-D544 IonicContact CZ-OD2 3.17Å; R449-D544 IonicContact NE-OD2 3.27Å; R449-D544 IonicContact NH1-OD1 2.75Å; R449-D544 IonicContact NH1-OD2 2.73Å; R449-D544 PolarHBondContact NH1-OD2 2.62Å; D544-W605 HydrophobicContact CB-CZ2 3.79Å; D544-W605 VanDerWaalsContact CG-CZ2 3.47Å; D544-W605 VanDerWaalsContact CG-NE1 3.33Å; D544-W605 PolarHBondContact OD1-NE1 3.43Å; D544-W605 WeakPolarHBondContact OD2-CZ2 3.32Å; D544-W605 PolarHBondContact OD2-NE1 3.33Å
545	G	82	Confident	90.7	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	110.4	-140.6	-177.9	0	0	0	0	0	115
546	W	82.3	Confident	90.7	Very high	45 Å²	45	28.7 Å²	28.7	17%	0.17	14%	0.136	C	C	.	.			trans	-87.7	131.8	-176.7	-65.1	115.8	0	0	0	112.9	P573 L581 F586	W546-P573 HydrophobicContact CD2-CB 3.48Å; W546-P573 VanDerWaalsContact CD2-CB 3.48Å; W546-P573 HydrophobicContact CD2-CG 3.97Å; W546-P573 HydrophobicContact CE3-CB 4.12Å; W546-P573 HydrophobicContact CE3-CG 4.08Å; W546-P573 HydrophobicContact CG-CB 3.83Å; W546-P573 HydrophobicContact CH2-CB 4.14Å; W546-P573 HydrophobicContact CH2-CG 3.95Å; W546-P573 HydrophobicContact CZ2-CB 3.51Å; W546-P573 HydrophobicContact CZ2-CG 3.83Å; W546-P573 HydrophobicContact CZ3-CB 4.41Å; W546-P573 HydrophobicContact CZ3-CG 4.07Å; W546-L581 HydrophobicContact CD2-CD1 3.48Å; W546-L581 VanDerWaalsContact CD2-CD1 3.48Å; W546-L581 HydrophobicContact CE3-CD1 3.28Å; W546-L581 HydrophobicContact CG-CD1 4.21Å; W546-L581 HydrophobicContact CH2-CD1 3.83Å; W546-L581 HydrophobicContact CH2-CD2 4.42Å; W546-L581 HydrophobicContact CZ2-CD1 3.99Å; W546-L581 HydrophobicContact CZ2-CD2 4.46Å; W546-L581 HydrophobicContact CZ3-CD1 3.47Å; W546-L581 VanDerWaalsContact CZ3-CD1 3.47Å; W546-F586 AromaticContact CE3-CD1 3.81Å; W546-F586 HydrophobicContact CE3-CD1 3.81Å; W546-F586 AromaticContact CE3-CE1 3.65Å; W546-F586 HydrophobicContact CE3-CE1 3.65Å; W546-F586 AromaticContact CZ3-CD1 3.87Å; W546-F586 HydrophobicContact CZ3-CD1 3.87Å; W546-F586 AromaticContact CZ3-CE1 3.87Å; W546-F586 HydrophobicContact CZ3-CE1 3.87Å
547	P	88.9	Confident	90.4	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.052	14%	0.143	C	C	.	.			trans	-61.1	145.3	168.3	-24	34.6	0	0	0	112.9	V513 D549 V551 F586	V513-P547 HydrophobicContact CB-CB 4.09Å; V513-P547 HydrophobicContact CB-CG 4.28Å; V513-P547 HydrophobicContact CG2-CB 4.01Å; V513-P547 HydrophobicContact CG2-CG 3.99Å; P547-D549 VanDerWaalsContact C-N 3.35Å; P547-V551 HydrophobicContact CB-CG2 3.72Å; P547-V551 HydrophobicContact CG-CG2 3.87Å; P547-F586 VanDerWaalsContact CD-CE1 3.4Å; P547-F586 HydrophobicContact CG-CD1 4.13Å; P547-F586 HydrophobicContact CG-CD2 3.71Å; P547-F586 HydrophobicContact CG-CE1 4.08Å; P547-F586 HydrophobicContact CG-CE2 3.63Å; P547-F586 HydrophobicContact CG-CG 3.96Å; P547-F586 HydrophobicContact CG-CZ 3.83Å
548	T	89.5	Confident	90.3	Very high	49 Å²	49	30.2 Å²	30.2	30%	0.301	14%	0.143	S	C	.	.	S	Bend	trans	-89.2	1.4	-178.9	57.8	0	0	0	0	114.1	M510 S511 N512	M510-T548 HydrophobicContact CB-CG2 4.17Å; M510-T548 WeakPolarHBondContact CB-OG1 3.5Å; M510-T548 HydrophobicContact CE-CG2 3.87Å; S511-T548 PolarHBondContact N-OG1 3.14Å; S511-T548 PolarHBondContact O-N 3.19Å; S511-T548 PolarHBondContact O-OG1 3.16Å; N512-T548 PolarHBondContact N-OG1 3.44Å; N512-T548 PolarHBondContact OD1-OG1 2.88Å
549	D	91.5	Very high	89.8	Confident	27 Å²	27	33 Å²	33	14%	0.144	15%	0.154	C	C	.	.	S	Bend	trans	-138.3	176.2	177.6	70	-18.3	0	0	0	112.2	N512 V513 G514 K515 P547	N512-D549 VanDerWaalsContact C-OD1 3.3Å; N512-D549 WeakPolarHBondContact CA-OD1 3.34Å; N512-D549 HydrophobicContact CB-CB 4.42Å; V513-D549 PolarHBondContact N-OD1 3.06Å; G514-D549 WeakPolarHBondContact CA-OD2 3.06Å; G514-D549 VanDerWaalsContact N-CG 3.32Å; G514-D549 PolarHBondContact N-OD1 3.24Å; G514-D549 PolarHBondContact N-OD2 3.3Å; G514-D549 VanDerWaalsContact N-OD2 3.12Å; K515-D549 PolarHBondContact N-OD2 3.45Å; P547-D549 VanDerWaalsContact C-N 3.35Å
550	K	90.2	Very high	89	Confident	152 Å²	152	37.6 Å²	37.6	66%	0.661	18%	0.175	S	C	*	.			trans	-79.4	127	-179.9	-67	-171.6	176.8	-170.4	0	110.6	G514 V582	G514-K550 WeakPolarHBondContact CA-O 3.27Å; K550-V582 HydrophobicContact CG-CG1 3.87Å
551	V	91.6	Very high	88.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.			trans	-102.9	-33.8	-171.7	176.8	0	0	0	0	111.4	V513 L517 P547 E553 A554 S555 F567 E583 F586 A590	V513-V551 HydrophobicContact CB-CG2 3.96Å; V513-V551 HydrophobicContact CG1-CG1 4.21Å; V513-V551 HydrophobicContact CG1-CG2 4.08Å; L517-V551 HydrophobicContact CD1-CG1 3.9Å; P547-V551 HydrophobicContact CB-CG2 3.72Å; P547-V551 HydrophobicContact CG-CG2 3.87Å; V551-E553 PolarHBondContact O-N 2.96Å; V551-A554 PolarHBondContact O-N 3.42Å; V551-S555 WeakPolarHBondContact CG1-OG 3.45Å; V551-S555 VanDerWaalsContact O-CB 3.28Å; V551-S555 WeakPolarHBondContact O-CB 3.02Å; V551-S555 PolarHBondContact O-N 2.91Å; V551-S555 PolarHBondContact O-OG 2.76Å; V551-F567 HydrophobicContact CG1-CZ 4.06Å; V551-E583 PolarHBondContact N-OE2 2.83Å; V551-F586 HydrophobicContact CB-CB 4.16Å; V551-F586 HydrophobicContact CG1-CB 4.48Å; V551-F586 HydrophobicContact CG1-CD2 4.43Å; V551-F586 HydrophobicContact CG2-CB 4.47Å; V551-A590 HydrophobicContact CG1-CB 3.95Å
552	E	87.5	Confident	87.7	Confident	84 Å²	84	37.7 Å²	37.7	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-52.6	-55.1	-174.9	178.6	165	-135.5	0	0	113.4	S555 R556 E583 K589	E552-S555 CarbonylContact O-C 3.26Å; E552-S555 PolarHBondContact O-N 3.39Å; E552-R556 WeakPolarHBondContact O-CB 3.34Å; E552-R556 PolarHBondContact O-N 2.96Å; E552-E583 WeakPolarHBondContact CB-OE1 3.47Å; E552-E583 PolarHBondContact N-OE2 3.32Å; E552-K589 HydrophobicContact CB-CB 4.17Å; E552-K589 HydrophobicContact CB-CD 4.22Å; E552-K589 HydrophobicContact CG-CB 4.16Å; E552-K589 HydrophobicContact CG-CD 4.5Å; E552-K589 IonicContact OE1-NZ 3.76Å; E552-K589 IonicContact OE2-NZ 2.85Å; E552-K589 PolarHBondContact OE2-NZ 3.4Å
553	E	86.9	Confident	87.4	Confident	96 Å²	96	37.8 Å²	37.8	45%	0.449	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-40.8	-174.7	174.7	58.1	-169.6	0	0	112.4	V551 S555 R556 L557	V551-E553 PolarHBondContact O-N 2.96Å; E553-S555 VanDerWaalsContact C-N 3.28Å; E553-S555 PolarHBondContact O-N 3.01Å; E553-R556 VanDerWaalsContact CD-NH2 3.33Å; E553-R556 PolarHBondContact O-N 3.47Å; E553-R556 IonicContact OE1-CZ 3.92Å; E553-R556 IonicContact OE1-NE 3.81Å; E553-R556 IonicContact OE1-NH2 3.03Å; E553-R556 PolarHBondContact OE1-NH2 2.9Å; E553-R556 IonicContact OE2-CZ 2.64Å; E553-R556 IonicContact OE2-NE 2.73Å; E553-R556 PolarHBondContact OE2-NE 2.85Å; E553-R556 IonicContact OE2-NH2 3.98Å; E553-R556 PolarHBondContact OE2-NH2 3.26Å; E553-L557 HydrophobicContact CG-CD1 4.44Å; E553-L557 WeakPolarHBondContact O-CG 3.36Å; E553-L557 PolarHBondContact O-N 3.48Å
554	A	91.1	Very high	87.4	Confident	9 Å²	9	37.7 Å²	37.7	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-37.4	174.9	0	0	0	0	0	111.6	G514 L517 V551 A558	G514-A554 WeakPolarHBondContact O-CB 3.31Å; L517-A554 HydrophobicContact CB-CB 3.96Å; V551-A554 PolarHBondContact O-N 3.42Å; A554-A558 WeakPolarHBondContact O-CB 3.28Å; A554-A558 PolarHBondContact O-N 3.03Å
555	S	90.5	Very high	87.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-74.1	-36.6	177.4	-52.5	0	0	0	0	113	L517 V551 E552 E553 A558 R559 A590	L517-S555 VanDerWaalsContact CD1-OG 3.23Å; L517-S555 WeakPolarHBondContact CD1-OG 3.28Å; V551-S555 WeakPolarHBondContact CG1-OG 3.45Å; V551-S555 VanDerWaalsContact O-CB 3.28Å; V551-S555 WeakPolarHBondContact O-CB 3.02Å; V551-S555 PolarHBondContact O-N 2.91Å; V551-S555 PolarHBondContact O-OG 2.76Å; E552-S555 CarbonylContact O-C 3.26Å; E552-S555 PolarHBondContact O-N 3.39Å; E553-S555 VanDerWaalsContact C-N 3.28Å; E553-S555 PolarHBondContact O-N 3.01Å; S555-A558 PolarHBondContact O-N 3.41Å; S555-R559 WeakPolarHBondContact O-CB 3.28Å; S555-R559 VanDerWaalsContact O-CG 3.26Å; S555-R559 WeakPolarHBondContact O-CG 3.37Å; S555-R559 PolarHBondContact O-N 3.24Å; S555-R559 PolarHBondContact O-NE 2.94Å; S555-A590 VanDerWaalsContact CB-CA 3.46Å; S555-A590 WeakPolarHBondContact OG-CB 3.43Å
556	R	85.8	Confident	88.5	Confident	86 Å²	86	36.5 Å²	36.5	33%	0.325	17%	0.168	S	C	.	.	H	α-helix	trans	-57.6	-53.5	171.2	-173.3	-172.3	68.4	77	5.4	109.8	E552 E553 A558 R559 E560	E552-R556 WeakPolarHBondContact O-CB 3.34Å; E552-R556 PolarHBondContact O-N 2.96Å; E553-R556 VanDerWaalsContact CD-NH2 3.33Å; E553-R556 PolarHBondContact O-N 3.47Å; E553-R556 IonicContact OE1-CZ 3.92Å; E553-R556 IonicContact OE1-NE 3.81Å; E553-R556 IonicContact OE1-NH2 3.03Å; E553-R556 PolarHBondContact OE1-NH2 2.9Å; E553-R556 IonicContact OE2-CZ 2.64Å; E553-R556 IonicContact OE2-NE 2.73Å; E553-R556 PolarHBondContact OE2-NE 2.85Å; E553-R556 IonicContact OE2-NH2 3.98Å; E553-R556 PolarHBondContact OE2-NH2 3.26Å; R556-A558 PolarHBondContact O-N 2.95Å; R556-R559 PolarHBondContact O-N 3.41Å; R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.69Å; R556-E560 IonicContact CZ-OE2 3.74Å; R556-E560 IonicContact NH1-OE1 2.7Å; R556-E560 PolarHBondContact NH1-OE1 3.04Å; R556-E560 IonicContact NH1-OE2 3.23Å; R556-E560 PolarHBondContact NH1-OE2 2.84Å; R556-E560 WeakPolarHBondContact O-CB 3.34Å; R556-E560 WeakPolarHBondContact O-CG 3.33Å; R556-E560 PolarHBondContact O-N 2.66Å
557	L	85.6	Confident	89.1	Confident	52 Å²	52	34.3 Å²	34.3	27%	0.272	16%	0.16	S	C	.	.	H	α-helix	trans	-59.4	-45.7	176.9	-67.8	171.1	0	0	0	112	N521 E553 R559 E560 S561	N521-L557 PolarHBondContact ND2-O 3.42Å; E553-L557 HydrophobicContact CG-CD1 4.44Å; E553-L557 WeakPolarHBondContact O-CG 3.36Å; E553-L557 PolarHBondContact O-N 3.48Å; L557-R559 PolarHBondContact O-N 2.97Å; L557-E560 PolarHBondContact O-N 3.45Å; L557-S561 PolarHBondContact O-N 3.44Å; L557-S561 PolarHBondContact O-OG 3.08Å
558	A	89.3	Confident	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-39.6	179	0	0	0	0	0	113.3	N521 A554 S555 R556 S561 G562 I563 I565	N521-A558 HydrophobicContact CB-CB 4.35Å; N521-A558 PolarHBondContact ND2-N 2.95Å; A554-A558 WeakPolarHBondContact O-CB 3.28Å; A554-A558 PolarHBondContact O-N 3.03Å; S555-A558 PolarHBondContact O-N 3.41Å; R556-A558 PolarHBondContact O-N 2.95Å; A558-S561 CarbonylContact O-C 3.57Å; A558-G562 PolarHBondContact O-N 2.9Å; A558-I563 HydrophobicContact CB-CD1 4.06Å; A558-I563 WeakPolarHBondContact O-CB 3.41Å; A558-I563 PolarHBondContact O-N 3.34Å; A558-I565 HydrophobicContact CB-CD1 4.02Å
559	R	86.1	Confident	89.5	Confident	59 Å²	59	32.8 Å²	32.8	22%	0.223	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-41.2	172.2	-71	178.3	-67	-174.6	-1.2	112	S555 R556 L557 S561 G562 I565 K589 A590 V591	S555-R559 WeakPolarHBondContact O-CB 3.28Å; S555-R559 VanDerWaalsContact O-CG 3.26Å; S555-R559 WeakPolarHBondContact O-CG 3.37Å; S555-R559 PolarHBondContact O-N 3.24Å; S555-R559 PolarHBondContact O-NE 2.94Å; R556-R559 PolarHBondContact O-N 3.41Å; L557-R559 PolarHBondContact O-N 2.97Å; R559-S561 VanDerWaalsContact C-N 3.34Å; R559-S561 PolarHBondContact O-N 2.91Å; R559-G562 WeakPolarHBondContact O-CA 3.36Å; R559-G562 PolarHBondContact O-N 2.93Å; R559-I565 HydrophobicContact CG-CD1 4.22Å; R559-K589 PolarHBondContact NH1-O 3.48Å; R559-K589 PolarHBondContact NH2-O 3.4Å; R559-A590 VanDerWaalsContact CD-O 3.25Å; R559-A590 WeakPolarHBondContact CD-O 3.13Å; R559-A590 PolarHBondContact NE-O 3.38Å; R559-V591 WeakPolarHBondContact CD-O 3.3Å; R559-V591 PolarHBondContact NH1-O 3.13Å
560	E	80.4	Confident	89.5	Confident	95 Å²	95	31.5 Å²	31.5	44%	0.444	14%	0.144	S	C	.	.	H	α-helix	trans	-63.8	-37.8	176.8	-77.8	171	-170	0	0	112.4	R556 L557 G562 K629	R556-E560 WeakPolarHBondContact CG-OE1 3.35Å; R556-E560 IonicContact CZ-OE1 2.69Å; R556-E560 IonicContact CZ-OE2 3.74Å; R556-E560 IonicContact NH1-OE1 2.7Å; R556-E560 PolarHBondContact NH1-OE1 3.04Å; R556-E560 IonicContact NH1-OE2 3.23Å; R556-E560 PolarHBondContact NH1-OE2 2.84Å; R556-E560 WeakPolarHBondContact O-CB 3.34Å; R556-E560 WeakPolarHBondContact O-CG 3.33Å; R556-E560 PolarHBondContact O-N 2.66Å; L557-E560 PolarHBondContact O-N 3.45Å; E560-G562 PolarHBondContact O-N 3.17Å; E560-K629 VanDerWaalsContact O-CE 3.32Å; E560-K629 WeakPolarHBondContact O-CE 3.19Å; E560-K629 PolarHBondContact O-NZ 3.46Å
561	S	80.7	Confident	89.2	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.014	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	4	170.9	-46	0	0	0	0	113.1	N521 L557 A558 R559 R818 N819	N521-S561 PolarHBondContact ND2-OG 3.15Å; N521-S561 WeakPolarHBondContact OD1-CB 3.4Å; N521-S561 PolarHBondContact OD1-OG 2.92Å; L557-S561 PolarHBondContact O-N 3.44Å; L557-S561 PolarHBondContact O-OG 3.08Å; A558-S561 CarbonylContact O-C 3.57Å; R559-S561 VanDerWaalsContact C-N 3.34Å; R559-S561 PolarHBondContact O-N 2.91Å; S561-R818 WeakPolarHBondContact O-CD 3.15Å; S561-R818 PolarHBondContact O-NH1 3.21Å; S561-N819 PolarHBondContact OG-OD1 3.04Å
562	G	84.9	Confident	88	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	36.8	164.6	0	0	0	0	0	116.1	A558 R559 E560 C627 S628	A558-G562 PolarHBondContact O-N 2.9Å; R559-G562 WeakPolarHBondContact O-CA 3.36Å; R559-G562 PolarHBondContact O-N 2.93Å; E560-G562 PolarHBondContact O-N 3.17Å; G562-C627 CarbonylContact C-O 3.47Å; G562-C627 WeakPolarHBondContact CA-O 3.42Å; G562-S628 WeakPolarHBondContact O-CA 3.26Å
563	I	90.9	Very high	86.8	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.3	177.2	-57.8	163.2	0	0	0	109.4	I520 N521 F525 N537 A539 A558 I565 C627	I520-I563 HydrophobicContact CD1-CD1 4.31Å; I520-I563 HydrophobicContact CD1-CG2 4.33Å; I520-I563 HydrophobicContact CG1-CD1 4.35Å; N521-I563 HydrophobicContact CB-CD1 4.21Å; F525-I563 HydrophobicContact CD2-CD1 3.6Å; F525-I563 HydrophobicContact CD2-CG1 3.85Å; F525-I563 HydrophobicContact CD2-CG2 4.45Å; F525-I563 HydrophobicContact CE2-CD1 4.05Å; F525-I563 HydrophobicContact CE2-CG1 4.12Å; F525-I563 HydrophobicContact CE2-CG2 3.86Å; N537-I563 HydrophobicContact CB-CG1 4.36Å; A539-I563 HydrophobicContact CB-CG2 3.77Å; A558-I563 HydrophobicContact CB-CD1 4.06Å; A558-I563 WeakPolarHBondContact O-CB 3.41Å; A558-I563 PolarHBondContact O-N 3.34Å; I563-I565 HydrophobicContact CG2-CG1 4.43Å; I563-C627 WeakPolarHBondContact O-CB 3.43Å
564	N	92.8	Very high	85.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.5	168.5	-72.8	-84.8	0	0	0	110	N537 V538 A539 F566 C592 F598 L625 V626 C627 S628	N537-N564 PolarHBondContact O-N 3.47Å; V538-N564 CarbonylContact C-O 3.57Å; V538-N564 WeakPolarHBondContact CA-O 3.49Å; V538-N564 HydrophobicContact CG2-CB 4.47Å; A539-N564 PolarHBondContact N-O 3.16Å; N564-F566 HydrophobicContact CB-CE2 4.4Å; N564-C592 PolarHBondContact OD1-SG 2.92Å; N564-F598 HydrophobicContact CB-CE1 4.19Å; N564-F598 WeakPolarHBondContact OD1-CE1 3.27Å; N564-L625 HydrophobicContact CB-CD2 4.19Å; N564-L625 WeakPolarHBondContact ND2-CB 3.4Å; N564-L625 PolarHBondContact ND2-O 2.89Å; N564-L625 WeakPolarHBondContact OD1-CA 3.45Å; N564-L625 PolarHBondContact OD1-O 2.77Å; N564-V626 PolarHBondContact OD1-N 3.17Å; N564-C627 WeakPolarHBondContact OD1-CB 3.38Å; N564-C627 PolarHBondContact OD1-N 2.76Å; N564-S628 WeakPolarHBondContact ND2-CB 3.44Å; N564-S628 PolarHBondContact ND2-N 3.32Å; N564-S628 VanDerWaalsContact ND2-N 3.14Å; N564-S628 PolarHBondContact ND2-OG 2.95Å
565	I	94.9	Very high	84.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	-180	-50.9	170.6	0	0	0	109	L517 A539 V541 A558 R559 I563 F567	L517-I565 HydrophobicContact CD2-CD1 4.1Å; L517-I565 HydrophobicContact CD2-CG1 4.41Å; L517-I565 HydrophobicContact CD2-CG2 4.14Å; A539-I565 WeakPolarHBondContact O-CA 3.3Å; V541-I565 HydrophobicContact CG2-CG2 3.96Å; A558-I565 HydrophobicContact CB-CD1 4.02Å; R559-I565 HydrophobicContact CG-CD1 4.22Å; I563-I565 HydrophobicContact CG2-CG1 4.43Å; I565-F567 HydrophobicContact CG2-CD2 3.96Å; I565-F567 HydrophobicContact CG2-CE2 3.51Å; I565-F567 HydrophobicContact CG2-CZ 4.34Å
566	F	96.2	Very high	83.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.8	168.3	-73.7	-100.5	0	0	0	110.1	V538 A539 V540 V541 N564 F597 F598 R618 V619 L625	V538-F566 HydrophobicContact CG1-CD2 3.55Å; V538-F566 HydrophobicContact CG1-CE2 3.69Å; A539-F566 PolarHBondContact O-N 2.87Å; V540-F566 HydrophobicContact CG1-CB 4.38Å; V540-F566 HydrophobicContact CG2-CB 4.32Å; V541-F566 PolarHBondContact N-O 3.02Å; N564-F566 HydrophobicContact CB-CE2 4.4Å; F566-F597 HydrophobicContact CE1-CD1 4.3Å; F566-F597 HydrophobicContact CE1-CE1 4.24Å; F566-F597 VanDerWaalsContact CE1-O 3.29Å; F566-F597 WeakPolarHBondContact CE1-O 3.42Å; F566-F597 HydrophobicContact CZ-CD1 4.27Å; F566-F597 AromaticContact CZ-CE1 3.85Å; F566-F597 HydrophobicContact CZ-CE1 3.85Å; F566-F597 HydrophobicContact CZ-CZ 4.47Å; F566-F598 CarbonylContact C-O 3.01Å; F566-F598 WeakPolarHBondContact CA-O 3.43Å; F566-F598 HydrophobicContact CD1-CD1 4.34Å; F566-F598 HydrophobicContact CD2-CD1 4.17Å; F566-F598 HydrophobicContact CE1-CD1 4.05Å; F566-F598 AromaticContact CE2-CD1 3.89Å; F566-F598 HydrophobicContact CE2-CD1 3.89Å; F566-F598 HydrophobicContact CE2-CE1 4.08Å; F566-F598 HydrophobicContact CG-CD1 4.4Å; F566-F598 AromaticContact CZ-CD1 3.83Å; F566-F598 HydrophobicContact CZ-CD1 3.83Å; F566-F598 HydrophobicContact CZ-CE1 4.03Å; F566-R618 HydrophobicContact CE1-CB 3.81Å; F566-R618 HydrophobicContact CZ-CB 4.27Å; F566-V619 HydrophobicContact CD2-CG2 4.27Å; F566-V619 HydrophobicContact CE1-CG2 4.48Å; F566-V619 HydrophobicContact CE2-CG2 4.05Å; F566-V619 HydrophobicContact CZ-CG2 4.16Å; F566-L625 HydrophobicContact CE2-CD2 3.76Å; F566-L625 HydrophobicContact CZ-CD2 3.91Å
567	F	94.9	Very high	82.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.5	171.3	-83.5	-93.1	0	0	0	110.9	V513 L517 V541 V543 V551 I565 F586 V587 A590 V591 F598 L600	V513-F567 HydrophobicContact CG1-CE1 4.05Å; V513-F567 HydrophobicContact CG1-CZ 4.13Å; L517-F567 HydrophobicContact CD1-CZ 4.34Å; V541-F567 HydrophobicContact CB-CD1 3.89Å; V541-F567 HydrophobicContact CB-CE1 3.87Å; V541-F567 HydrophobicContact CB-CG 4.4Å; V541-F567 HydrophobicContact CB-CZ 4.35Å; V541-F567 HydrophobicContact CG1-CD1 4.16Å; V541-F567 HydrophobicContact CG1-CE1 3.83Å; V541-F567 HydrophobicContact CG2-CD1 4.43Å; V541-F567 HydrophobicContact CG2-CE1 4.12Å; V541-F567 HydrophobicContact CG2-CE2 4.36Å; V541-F567 HydrophobicContact CG2-CZ 4.09Å; V543-F567 HydrophobicContact CG1-CD1 4.24Å; V551-F567 HydrophobicContact CG1-CZ 4.06Å; I565-F567 HydrophobicContact CG2-CD2 3.96Å; I565-F567 HydrophobicContact CG2-CE2 3.51Å; I565-F567 HydrophobicContact CG2-CZ 4.34Å; F567-F586 AromaticContact CD1-CE2 3.91Å; F567-F586 HydrophobicContact CD1-CE2 3.91Å; F567-F586 AromaticContact CE1-CD2 3.99Å; F567-F586 HydrophobicContact CE1-CD2 3.99Å; F567-F586 AromaticContact CE1-CE2 3.7Å; F567-F586 HydrophobicContact CE1-CE2 3.7Å; F567-F586 HydrophobicContact CZ-CD2 4.37Å; F567-V587 HydrophobicContact CB-CG1 3.94Å; F567-V587 HydrophobicContact CB-CG2 4.19Å; F567-V587 HydrophobicContact CD1-CG2 4.2Å; F567-V587 HydrophobicContact CD2-CG1 4.29Å; F567-V587 HydrophobicContact CG-CG1 4.2Å; F567-V587 HydrophobicContact CG-CG2 4.1Å; F567-A590 HydrophobicContact CD2-CB 4.45Å; F567-A590 HydrophobicContact CE2-CB 3.5Å; F567-A590 HydrophobicContact CZ-CB 4Å; F567-V591 HydrophobicContact CD2-CG1 4.03Å; F567-F598 PolarHBondContact N-O 2.73Å; F567-L600 PolarHBondContact O-N 2.75Å
568	V	95.4	Very high	81.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	95.1	165.9	-173.2	0	0	0	0	107.1	V540 V541 L542 V543 I570 L600 V602 L608	V540-V568 HydrophobicContact CG1-CG2 3.86Å; V541-V568 PolarHBondContact O-N 3Å; L542-V568 HydrophobicContact CD2-CB 3.74Å; L542-V568 HydrophobicContact CD2-CG1 4.26Å; L542-V568 HydrophobicContact CD2-CG2 3.93Å; V543-V568 PolarHBondContact N-O 2.88Å; V568-I570 HydrophobicContact CG1-CG1 4.36Å; V568-L600 WeakPolarHBondContact CA-O 3.48Å; V568-L600 HydrophobicContact CG2-CB 4.17Å; V568-L600 HydrophobicContact CG2-CD1 4.19Å; V568-V602 HydrophobicContact CG1-CG2 3.75Å; V568-L608 HydrophobicContact CG1-CD1 3.8Å
569	T	92.3	Very high	80.6	Confident	25 Å²	25	49.6 Å²	49.6	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.5	177.7	46.6	0	0	0	0	109.4	V543 F586 V587 L600 P601 V602	V543-T569 HydrophobicContact CG1-CG2 3.78Å; T569-F586 HydrophobicContact CG2-CZ 4.44Å; T569-V587 HydrophobicContact CG2-CG2 3.92Å; T569-L600 PolarHBondContact N-O 3.22Å; T569-P601 WeakPolarHBondContact OG1-CA 3.25Å; T569-V602 PolarHBondContact O-N 3.19Å
570	I	91.7	Very high	79.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.8	-173.8	-51.6	168	0	0	0	108.9	V543 V568 G572 W605 L608	V543-I570 PolarHBondContact O-N 2.99Å; V568-I570 HydrophobicContact CG1-CG1 4.36Å; I570-G572 PolarHBondContact O-N 3.21Å; I570-W605 HydrophobicContact CB-CZ2 4.36Å; I570-W605 HydrophobicContact CD1-CE3 4.26Å; I570-W605 HydrophobicContact CD1-CH2 3.58Å; I570-W605 HydrophobicContact CD1-CZ2 3.99Å; I570-W605 HydrophobicContact CD1-CZ3 3.72Å; I570-W605 HydrophobicContact CG2-CD2 3.63Å; I570-W605 HydrophobicContact CG2-CE3 4.16Å; I570-W605 HydrophobicContact CG2-CG 3.84Å; I570-W605 HydrophobicContact CG2-CZ2 4.12Å; I570-L608 HydrophobicContact CD1-CD1 3.98Å; I570-L608 HydrophobicContact CD1-CD2 3.9Å; I570-L608 HydrophobicContact CG1-CD1 4.19Å
571	E	82.9	Confident	79.2	Confident	80 Å²	80	51.2 Å²	51.2	37%	0.374	26%	0.264	S	S	.	.	S	Bend	trans	57.6	-12.4	-173.7	-75.8	175.3	-169.2	0	0	116.2	R449 V602 S604 W605	R449-E571 IonicContact CZ-OE2 3.72Å; R449-E571 IonicContact NH2-OE2 3.45Å; R449-E571 PolarHBondContact NH2-OE2 2.9Å; E571-V602 PolarHBondContact N-O 3.39Å; E571-S604 WeakPolarHBondContact OE1-CA 3.22Å; E571-W605 PolarHBondContact OE1-N 3.36Å
572	G	66.3	Low	79.2	Confident	30 Å²	30	54.1 Å²	54.1	31%	0.309	28%	0.282	S	S	.	.			trans	79.2	169.5	-177.5	0	0	0	0	0	111.5	I570	I570-G572 PolarHBondContact O-N 3.21Å
573	P	62.6	Low	78.8	Confident	50 Å²	50	55.3 Å²	55.3	33%	0.325	29%	0.287	S	S	.	.			trans	-77.2	135.1	170.8	-3.9	22.2	0	0	0	110.2	W546	W546-P573 HydrophobicContact CD2-CB 3.48Å; W546-P573 VanDerWaalsContact CD2-CB 3.48Å; W546-P573 HydrophobicContact CD2-CG 3.97Å; W546-P573 HydrophobicContact CE3-CB 4.12Å; W546-P573 HydrophobicContact CE3-CG 4.08Å; W546-P573 HydrophobicContact CG-CB 3.83Å; W546-P573 HydrophobicContact CH2-CB 4.14Å; W546-P573 HydrophobicContact CH2-CG 3.95Å; W546-P573 HydrophobicContact CZ2-CB 3.51Å; W546-P573 HydrophobicContact CZ2-CG 3.83Å; W546-P573 HydrophobicContact CZ3-CB 4.41Å; W546-P573 HydrophobicContact CZ3-CG 4.07Å
574	D	66.4	Low	78.3	Confident	77 Å²	77	57.6 Å²	57.6	41%	0.412	31%	0.307	S	S	.	.			trans	-69	135.5	171	-171.1	-4.7	0	0	0	109.8	N576 E577 K578	D574-N576 VanDerWaalsContact CG-ND2 3.27Å; D574-N576 PolarHBondContact O-N 3.19Å; D574-N576 PolarHBondContact OD1-N 2.98Å; D574-N576 PolarHBondContact OD1-ND2 2.83Å; D574-N576 WeakPolarHBondContact OD2-CB 3.46Å; D574-N576 PolarHBondContact OD2-ND2 3Å; D574-E577 HydrophobicContact CB-CB 4.44Å; D574-E577 HydrophobicContact CB-CG 4.15Å; D574-E577 PolarHBondContact O-N 3.21Å; D574-K578 PolarHBondContact O-N 3.21Å
575	E	67.2	Low	77.9	Confident	123 Å²	123	62.8 Å²	62.8	58%	0.575	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.7	172	-76.6	-74.4	128	0	0	111.6	K578	E575-K578 WeakPolarHBondContact O-CB 3.25Å; E575-K578 PolarHBondContact O-N 3.39Å; E575-K578 IonicContact OE1-NZ 3.69Å; E575-K578 PolarHBondContact OE1-NZ 2.78Å; E575-K578 VanDerWaalsContact OE2-CD 3.29Å; E575-K578 WeakPolarHBondContact OE2-CD 2.97Å; E575-K578 IonicContact OE2-NZ 2.63Å; E575-K578 PolarHBondContact OE2-NZ 3.24Å
576	N	68.1	Low	77.6	Confident	124 Å²	124	63 Å²	63	66%	0.663	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.2	171.1	-59.5	-59.7	0	0	0	112.4	D574 K578	D574-N576 VanDerWaalsContact CG-ND2 3.27Å; D574-N576 PolarHBondContact O-N 3.19Å; D574-N576 PolarHBondContact OD1-N 2.98Å; D574-N576 PolarHBondContact OD1-ND2 2.83Å; D574-N576 WeakPolarHBondContact OD2-CB 3.46Å; D574-N576 PolarHBondContact OD2-ND2 3Å; N576-K578 VanDerWaalsContact C-N 3.26Å; N576-K578 PolarHBondContact O-N 3.04Å
577	E	66.5	Low	77.2	Confident	97 Å²	97	64 Å²	64	45%	0.453	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-78.8	-9.9	-179.7	-68.4	-172.8	154.8	0	0	113.3	D574 Q579 N580	D574-E577 HydrophobicContact CB-CB 4.44Å; D574-E577 HydrophobicContact CB-CG 4.15Å; D574-E577 PolarHBondContact O-N 3.21Å; E577-Q579 PolarHBondContact O-N 3.33Å; E577-N580 PolarHBondContact O-N 2.85Å
578	K	66.6	Low	76.8	Confident	94 Å²	94	67.6 Å²	67.6	41%	0.409	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-56	-17.5	179.6	-162.4	170.3	-169.6	158	0	114.4	D574 E575 N576 N580 L581	D574-K578 PolarHBondContact O-N 3.21Å; E575-K578 WeakPolarHBondContact O-CB 3.25Å; E575-K578 PolarHBondContact O-N 3.39Å; E575-K578 IonicContact OE1-NZ 3.69Å; E575-K578 PolarHBondContact OE1-NZ 2.78Å; E575-K578 VanDerWaalsContact OE2-CD 3.29Å; E575-K578 WeakPolarHBondContact OE2-CD 2.97Å; E575-K578 IonicContact OE2-NZ 2.63Å; E575-K578 PolarHBondContact OE2-NZ 3.24Å; N576-K578 VanDerWaalsContact C-N 3.26Å; N576-K578 PolarHBondContact O-N 3.04Å; K578-N580 VanDerWaalsContact C-N 3.32Å; K578-L581 HydrophobicContact CG-CD2 4.35Å; K578-L581 WeakPolarHBondContact O-CB 3.45Å; K578-L581 PolarHBondContact O-N 2.85Å
579	Q	64.2	Low	76.4	Confident	183 Å²	183	70.7 Å²	70.7	86%	0.855	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-71.7	-24.4	172.7	-58.6	-173.8	19	0	0	113.1	E577	E577-Q579 PolarHBondContact O-N 3.33Å
580	N	65.8	Low	76.1	Confident	134 Å²	134	69.5 Å²	69.5	72%	0.717	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-96.7	14.7	177.5	-62	-45.9	0	0	0	112.6	E577 K578 V582	E577-N580 PolarHBondContact O-N 2.85Å; K578-N580 VanDerWaalsContact C-N 3.32Å; N580-V582 PolarHBondContact O-N 2.99Å; N580-V582 VanDerWaalsContact O-N 3.13Å
581	L	72.3	Confident	76	Confident	54 Å²	54	69.6 Å²	69.6	28%	0.283	37%	0.368	S	S	.	.			trans	-67.5	106.3	-172.2	-179.9	58.6	0	0	0	112.6	W546 K578 E583 A584	W546-L581 HydrophobicContact CD2-CD1 3.48Å; W546-L581 VanDerWaalsContact CD2-CD1 3.48Å; W546-L581 HydrophobicContact CE3-CD1 3.28Å; W546-L581 HydrophobicContact CG-CD1 4.21Å; W546-L581 HydrophobicContact CH2-CD1 3.83Å; W546-L581 HydrophobicContact CH2-CD2 4.42Å; W546-L581 HydrophobicContact CZ2-CD1 3.99Å; W546-L581 HydrophobicContact CZ2-CD2 4.46Å; W546-L581 HydrophobicContact CZ3-CD1 3.47Å; W546-L581 VanDerWaalsContact CZ3-CD1 3.47Å; K578-L581 HydrophobicContact CG-CD2 4.35Å; K578-L581 WeakPolarHBondContact O-CB 3.45Å; K578-L581 PolarHBondContact O-N 2.85Å; L581-E583 WeakPolarHBondContact CD1-O 3.32Å; L581-A584 HydrophobicContact CD2-CB 3.96Å
582	V	79.8	Confident	75.9	Confident	64 Å²	64	67 Å²	67	39%	0.388	36%	0.358	S	S	.	.	S	Bend	trans	-71.8	-35.9	173.9	-178.5	0	0	0	0	111.8	K550 N580	K550-V582 HydrophobicContact CG-CG1 3.87Å; N580-V582 PolarHBondContact O-N 2.99Å; N580-V582 VanDerWaalsContact O-N 3.13Å
583	E	78.2	Confident	76.6	Confident	24 Å²	24	72.5 Å²	72.5	11%	0.112	37%	0.369	C	S	.	.	S	Bend	trans	-153.6	110.9	-176	179.7	144	-117.5	0	0	113.2	V551 E552 L581 F586 K589	V551-E583 PolarHBondContact N-OE2 2.83Å; E552-E583 WeakPolarHBondContact CB-OE1 3.47Å; E552-E583 PolarHBondContact N-OE2 3.32Å; L581-E583 WeakPolarHBondContact CD1-O 3.32Å; E583-F586 HydrophobicContact CB-CB 4.5Å; E583-F586 HydrophobicContact CG-CB 4.08Å; E583-K589 HydrophobicContact CG-CD 3.89Å; E583-K589 IonicContact OE1-NZ 3.62Å; E583-K589 PolarHBondContact OE1-NZ 2.76Å
584	A	80.1	Confident	77.5	Confident	51 Å²	51	75 Å²	75	42%	0.421	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	144.5	171.4	0	0	0	0	0	111.9	L581 F586 K589	L581-A584 HydrophobicContact CD2-CB 3.96Å; A584-F586 PolarHBondContact O-N 3.42Å; A584-K589 WeakPolarHBondContact O-CD 3.3Å; A584-K589 WeakPolarHBondContact O-CE 3.45Å
585	N	83.6	Confident	78.3	Confident	109 Å²	109	75.6 Å²	75.6	58%	0.583	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.6	176	-55.6	-0.6	0	0	0	113.8	V587 D588 K589	N585-V587 PolarHBondContact O-N 3.17Å; N585-V587 VanDerWaalsContact O-N 3.15Å; N585-D588 PolarHBondContact O-N 3.31Å; N585-D588 VanDerWaalsContact O-N 3.12Å; N585-K589 PolarHBondContact O-N 3.15Å; N585-K589 VanDerWaalsContact O-N 3.17Å
586	F	87.8	Confident	79.2	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.022	38%	0.378	C	S	.	.	H	α-helix	trans	-53.5	-36	-177	69.8	-90.5	0	0	0	113.3	V543 W546 P547 V551 F567 T569 E583 A584 A590	V543-F586 HydrophobicContact CG1-CE2 4.37Å; V543-F586 HydrophobicContact CG1-CZ 4.32Å; W546-F586 AromaticContact CE3-CD1 3.81Å; W546-F586 HydrophobicContact CE3-CD1 3.81Å; W546-F586 AromaticContact CE3-CE1 3.65Å; W546-F586 HydrophobicContact CE3-CE1 3.65Å; W546-F586 AromaticContact CZ3-CD1 3.87Å; W546-F586 HydrophobicContact CZ3-CD1 3.87Å; W546-F586 AromaticContact CZ3-CE1 3.87Å; W546-F586 HydrophobicContact CZ3-CE1 3.87Å; P547-F586 VanDerWaalsContact CD-CE1 3.4Å; P547-F586 HydrophobicContact CG-CD1 4.13Å; P547-F586 HydrophobicContact CG-CD2 3.71Å; P547-F586 HydrophobicContact CG-CE1 4.08Å; P547-F586 HydrophobicContact CG-CE2 3.63Å; P547-F586 HydrophobicContact CG-CG 3.96Å; P547-F586 HydrophobicContact CG-CZ 3.83Å; V551-F586 HydrophobicContact CB-CB 4.16Å; V551-F586 HydrophobicContact CG1-CB 4.48Å; V551-F586 HydrophobicContact CG1-CD2 4.43Å; V551-F586 HydrophobicContact CG2-CB 4.47Å; F567-F586 AromaticContact CD1-CE2 3.91Å; F567-F586 HydrophobicContact CD1-CE2 3.91Å; F567-F586 AromaticContact CE1-CD2 3.99Å; F567-F586 HydrophobicContact CE1-CD2 3.99Å; F567-F586 AromaticContact CE1-CE2 3.7Å; F567-F586 HydrophobicContact CE1-CE2 3.7Å; F567-F586 HydrophobicContact CZ-CD2 4.37Å; T569-F586 HydrophobicContact CG2-CZ 4.44Å; E583-F586 HydrophobicContact CB-CB 4.5Å; E583-F586 HydrophobicContact CG-CB 4.08Å; A584-F586 PolarHBondContact O-N 3.42Å; F586-A590 WeakPolarHBondContact O-CB 3.45Å; F586-A590 PolarHBondContact O-N 2.95Å
587	V	88.7	Confident	80.3	Confident	20 Å²	20	66 Å²	66	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-52.8	177	178.4	0	0	0	0	111.1	F567 T569 N585 K589 A590 V591	F567-V587 HydrophobicContact CB-CG1 3.94Å; F567-V587 HydrophobicContact CB-CG2 4.19Å; F567-V587 HydrophobicContact CD1-CG2 4.2Å; F567-V587 HydrophobicContact CD2-CG1 4.29Å; F567-V587 HydrophobicContact CG-CG1 4.2Å; F567-V587 HydrophobicContact CG-CG2 4.1Å; T569-V587 HydrophobicContact CG2-CG2 3.92Å; N585-V587 PolarHBondContact O-N 3.17Å; N585-V587 VanDerWaalsContact O-N 3.15Å; V587-K589 VanDerWaalsContact C-N 3.33Å; V587-K589 PolarHBondContact O-N 3.19Å; V587-A590 PolarHBondContact O-N 2.92Å; V587-V591 HydrophobicContact CG1-CG1 4.06Å; V587-V591 WeakPolarHBondContact O-CG1 3.44Å; V587-V591 WeakPolarHBondContact O-CG2 3.44Å; V587-V591 PolarHBondContact O-N 3.34Å
588	D	87.2	Confident	81.5	Confident	75 Å²	75	61.4 Å²	61.4	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-37.6	-176.8	-68.4	-43.7	0	0	0	112.3	N585 A590 T594	N585-D588 PolarHBondContact O-N 3.31Å; N585-D588 VanDerWaalsContact O-N 3.12Å; D588-A590 VanDerWaalsContact C-N 3.26Å; D588-A590 PolarHBondContact O-N 3.31Å; D588-T594 HydrophobicContact CB-CG2 3.67Å; D588-T594 WeakPolarHBondContact O-CG2 3.23Å
589	K	85.7	Confident	82.8	Confident	65 Å²	65	58.3 Å²	58.3	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-34	171.3	-72	166.2	159.1	-116.9	0	112.4	E552 R559 E583 A584 N585 V587	E552-K589 HydrophobicContact CB-CB 4.17Å; E552-K589 HydrophobicContact CB-CD 4.22Å; E552-K589 HydrophobicContact CG-CB 4.16Å; E552-K589 HydrophobicContact CG-CD 4.5Å; E552-K589 IonicContact OE1-NZ 3.76Å; E552-K589 IonicContact OE2-NZ 2.85Å; E552-K589 PolarHBondContact OE2-NZ 3.4Å; R559-K589 PolarHBondContact NH1-O 3.48Å; R559-K589 PolarHBondContact NH2-O 3.4Å; E583-K589 HydrophobicContact CG-CD 3.89Å; E583-K589 IonicContact OE1-NZ 3.62Å; E583-K589 PolarHBondContact OE1-NZ 2.76Å; A584-K589 WeakPolarHBondContact O-CD 3.3Å; A584-K589 WeakPolarHBondContact O-CE 3.45Å; N585-K589 PolarHBondContact O-N 3.15Å; N585-K589 VanDerWaalsContact O-N 3.17Å; V587-K589 VanDerWaalsContact C-N 3.33Å; V587-K589 PolarHBondContact O-N 3.19Å
590	A	87.4	Confident	84.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-92.1	-35.7	-169.6	0	0	0	0	0	115.2	V551 S555 R559 F567 F586 V587 D588	V551-A590 HydrophobicContact CG1-CB 3.95Å; S555-A590 VanDerWaalsContact CB-CA 3.46Å; S555-A590 WeakPolarHBondContact OG-CB 3.43Å; R559-A590 VanDerWaalsContact CD-O 3.25Å; R559-A590 WeakPolarHBondContact CD-O 3.13Å; R559-A590 PolarHBondContact NE-O 3.38Å; F567-A590 HydrophobicContact CD2-CB 4.45Å; F567-A590 HydrophobicContact CE2-CB 3.5Å; F567-A590 HydrophobicContact CZ-CB 4Å; F586-A590 WeakPolarHBondContact O-CB 3.45Å; F586-A590 PolarHBondContact O-N 2.95Å; V587-A590 PolarHBondContact O-N 2.92Å; D588-A590 VanDerWaalsContact C-N 3.26Å; D588-A590 PolarHBondContact O-N 3.31Å
591	V	88.5	Confident	85.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	27%	0.273	C	S	.	.	S	Bend	trans	-70	162.8	-175.9	-67.2	0	0	0	0	113.4	R559 F567 V587 R593 T594 F598	R559-V591 WeakPolarHBondContact CD-O 3.3Å; R559-V591 PolarHBondContact NH1-O 3.13Å; F567-V591 HydrophobicContact CD2-CG1 4.03Å; V587-V591 HydrophobicContact CG1-CG1 4.06Å; V587-V591 WeakPolarHBondContact O-CG1 3.44Å; V587-V591 WeakPolarHBondContact O-CG2 3.44Å; V587-V591 PolarHBondContact O-N 3.34Å; V591-R593 WeakPolarHBondContact CG2-O 3.45Å; V591-T594 HydrophobicContact CG2-CG2 4.39Å; V591-F598 HydrophobicContact CB-CB 3.59Å; V591-F598 HydrophobicContact CB-CG 4.31Å; V591-F598 HydrophobicContact CG1-CB 3.56Å; V591-F598 HydrophobicContact CG2-CB 4.42Å
592	C	81.7	Confident	86.5	Confident	24 Å²	24	46.1 Å²	46.1	16%	0.162	26%	0.263	C	S	.	.	S	Bend	trans	-66.9	-36.6	179.6	-68.8	0	0	0	0	114	N564 F598 C627	N564-C592 PolarHBondContact OD1-SG 2.92Å; C592-F598 HydrophobicContact CB-CD1 4.26Å; C592-F598 HydrophobicContact CB-CD2 4.03Å; C592-F598 HydrophobicContact CB-CE1 3.9Å; C592-F598 HydrophobicContact CB-CE2 3.64Å; C592-F598 HydrophobicContact CB-CG 4.32Å; C592-F598 HydrophobicContact CB-CZ 3.58Å; C592-C627 VanDerWaalsContact CA-SG 3.59Å; C592-C627 HydrophobicContact CB-CB 4.21Å; C592-C627 WeakPolarHBondContact CB-SG 3.29Å; C592-C627 WeakPolarHBondContact SG-CB 3.14Å; C592-C627 CovalentContact SG-SG 2.02Å; C592-C627 PolarHBondContact SG-SG 2.96Å
593	R	80.9	Confident	87	Confident	147 Å²	147	50 Å²	50	56%	0.555	28%	0.281	S	S	*	.			trans	-148.7	142.1	172.3	-66.2	-171.7	177.5	-178.4	-0.6	109.7	V591 N595 F598	V591-R593 WeakPolarHBondContact CG2-O 3.45Å; R593-N595 HydrophobicContact CB-CB 4.47Å; R593-N595 PolarHBondContact O-N 2.75Å; R593-N595 PolarHBondContact O-OD1 3.19Å; R593-F598 HydrophobicContact CB-CD2 4.42Å; R593-F598 HydrophobicContact CB-CE2 4.23Å
594	T	81.6	Confident	87.6	Confident	103 Å²	103	50.5 Å²	50.5	63%	0.632	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	42.6	178.1	46.8	0	0	0	0	112.7	D588 V591	D588-T594 HydrophobicContact CB-CG2 3.67Å; D588-T594 WeakPolarHBondContact O-CG2 3.23Å; V591-T594 HydrophobicContact CG2-CG2 4.39Å
595	N	82.7	Confident	88.2	Confident	89 Å²	89	48.4 Å²	48.4	48%	0.476	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	17.9	-174.4	70.3	-12.2	0	0	0	113.7	R593 F597	R593-N595 HydrophobicContact CB-CB 4.47Å; R593-N595 PolarHBondContact O-N 2.75Å; R593-N595 PolarHBondContact O-OD1 3.19Å; N595-F597 PolarHBondContact O-N 3.14Å; N595-F597 VanDerWaalsContact OD1-CB 3.27Å; N595-F597 WeakPolarHBondContact OD1-CB 3.31Å; N595-F597 PolarHBondContact OD1-N 2.75Å
596	G	86.1	Confident	88.5	Confident	37 Å²	37	50.6 Å²	50.6	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-2.3	-178.8	0	0	0	0	0	116	R618	G596-R618 PolarHBondContact O-NH1 2.72Å; G596-R618 PolarHBondContact O-NH2 2.95Å
597	F	90.5	Very high	88.7	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-38.9	177.1	-178.5	-105.2	0	0	0	111.9	F566 N595 R618 D621 R624 L625	F566-F597 HydrophobicContact CE1-CD1 4.3Å; F566-F597 HydrophobicContact CE1-CE1 4.24Å; F566-F597 VanDerWaalsContact CE1-O 3.29Å; F566-F597 WeakPolarHBondContact CE1-O 3.42Å; F566-F597 HydrophobicContact CZ-CD1 4.27Å; F566-F597 AromaticContact CZ-CE1 3.85Å; F566-F597 HydrophobicContact CZ-CE1 3.85Å; F566-F597 HydrophobicContact CZ-CZ 4.47Å; N595-F597 PolarHBondContact O-N 3.14Å; N595-F597 VanDerWaalsContact OD1-CB 3.27Å; N595-F597 WeakPolarHBondContact OD1-CB 3.31Å; N595-F597 PolarHBondContact OD1-N 2.75Å; F597-R618 VanDerWaalsContact C-NH1 3.35Å; F597-R618 HydrophobicContact CD2-CB 4.42Å; F597-R618 HydrophobicContact CD2-CG 4Å; F597-R618 HydrophobicContact CE2-CB 3.85Å; F597-R618 HydrophobicContact CE2-CG 3.75Å; F597-R618 HydrophobicContact CZ-CB 4.01Å; F597-R618 HydrophobicContact CZ-CG 4.41Å; F597-R618 VanDerWaalsContact CZ-O 3.25Å; F597-R618 WeakPolarHBondContact CZ-O 3.41Å; F597-R618 WeakPolarHBondContact O-CD 3.12Å; F597-R618 PolarHBondContact O-NH1 2.92Å; F597-D621 HydrophobicContact CE2-CB 4.48Å; F597-D621 HydrophobicContact CZ-CB 4.12Å; F597-R624 VanDerWaalsContact CD2-CZ 3.43Å; F597-R624 HydrophobicContact CE1-CB 3.85Å; F597-R624 HydrophobicContact CE2-CB 4.34Å; F597-R624 VanDerWaalsContact CE2-CZ 3.49Å; F597-R624 VanDerWaalsContact CE2-NH1 3.27Å; F597-R624 HydrophobicContact CZ-CB 3.69Å; F597-L625 HydrophobicContact CE1-CD2 4.48Å
598	F	93	Very high	89	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.009	28%	0.277	C	S	.	.	S	Bend	trans	-88.5	-5.8	-178	-63.5	-78.8	0	0	0	114	N564 F566 F567 V591 C592 R593	N564-F598 HydrophobicContact CB-CE1 4.19Å; N564-F598 WeakPolarHBondContact OD1-CE1 3.27Å; F566-F598 CarbonylContact C-O 3.01Å; F566-F598 WeakPolarHBondContact CA-O 3.43Å; F566-F598 HydrophobicContact CD1-CD1 4.34Å; F566-F598 HydrophobicContact CD2-CD1 4.17Å; F566-F598 HydrophobicContact CE1-CD1 4.05Å; F566-F598 AromaticContact CE2-CD1 3.89Å; F566-F598 HydrophobicContact CE2-CD1 3.89Å; F566-F598 HydrophobicContact CE2-CE1 4.08Å; F566-F598 HydrophobicContact CG-CD1 4.4Å; F566-F598 AromaticContact CZ-CD1 3.83Å; F566-F598 HydrophobicContact CZ-CD1 3.83Å; F566-F598 HydrophobicContact CZ-CE1 4.03Å; F567-F598 PolarHBondContact N-O 2.73Å; V591-F598 HydrophobicContact CB-CB 3.59Å; V591-F598 HydrophobicContact CB-CG 4.31Å; V591-F598 HydrophobicContact CG1-CB 3.56Å; V591-F598 HydrophobicContact CG2-CB 4.42Å; C592-F598 HydrophobicContact CB-CD1 4.26Å; C592-F598 HydrophobicContact CB-CD2 4.03Å; C592-F598 HydrophobicContact CB-CE1 3.9Å; C592-F598 HydrophobicContact CB-CE2 3.64Å; C592-F598 HydrophobicContact CB-CG 4.32Å; C592-F598 HydrophobicContact CB-CZ 3.58Å; R593-F598 HydrophobicContact CB-CD2 4.42Å; R593-F598 HydrophobicContact CB-CE2 4.23Å
599	S	92.7	Very high	89.3	Confident	28 Å²	28	55.6 Å²	55.6	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.9	177.3	50	0	0	0	0	112	R618	S599-R618 PolarHBondContact O-NH1 2.81Å
600	L	93.5	Very high	89.7	Confident	12 Å²	12	60.7 Å²	60.7	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	79.3	-176.9	-77.6	163.6	0	0	0	109.2	F567 V568 T569 P614 L615	F567-L600 PolarHBondContact O-N 2.75Å; V568-L600 WeakPolarHBondContact CA-O 3.48Å; V568-L600 HydrophobicContact CG2-CB 4.17Å; V568-L600 HydrophobicContact CG2-CD1 4.19Å; T569-L600 PolarHBondContact N-O 3.22Å; L600-P614 HydrophobicContact CD2-CB 4.06Å; L600-L615 HydrophobicContact CD1-CB 3.86Å; L600-L615 HydrophobicContact CD1-CD1 3.54Å; L600-L615 HydrophobicContact CD1-CG 4.28Å
601	P	92.3	Very high	90.1	Very high	92 Å²	92	61.1 Å²	61.1	60%	0.597	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.3	174.5	28.4	-34.1	0	0	0	111.3	T569	T569-P601 WeakPolarHBondContact OG1-CA 3.25Å
602	V	93.8	Very high	90.5	Very high	11 Å²	11	61.2 Å²	61.2	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	105.8	-175.9	178.5	0	0	0	0	109.5	V568 T569 E571 S604 A607 L608 A611	V568-V602 HydrophobicContact CG1-CG2 3.75Å; T569-V602 PolarHBondContact O-N 3.19Å; E571-V602 PolarHBondContact N-O 3.39Å; V602-S604 VanDerWaalsContact CG1-O 3.3Å; V602-S604 WeakPolarHBondContact CG1-O 3.35Å; V602-S604 PolarHBondContact O-N 2.78Å; V602-A607 HydrophobicContact CG1-CB 4.03Å; V602-L608 HydrophobicContact CG1-CB 4.1Å; V602-L608 HydrophobicContact CG1-CD1 4.42Å; V602-L608 HydrophobicContact CG2-CD1 4.29Å; V602-A611 HydrophobicContact CG2-CB 3.89Å
603	N	90.7	Very high	91.1	Very high	145 Å²	145	65.9 Å²	65.9	78%	0.775	34%	0.335	S	S	*	.	S	Bend	trans	-66.4	-11.2	-170	-54.5	20.9	0	0	0	115.5
604	S	91.6	Very high	91.9	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	33%	0.326	S	S	.	.			trans	-157.7	155.1	171.8	72	0	0	0	0	113	E571 V602 F606 A607 L608	E571-S604 WeakPolarHBondContact OE1-CA 3.22Å; V602-S604 VanDerWaalsContact CG1-O 3.3Å; V602-S604 WeakPolarHBondContact CG1-O 3.35Å; V602-S604 PolarHBondContact O-N 2.78Å; S604-F606 PolarHBondContact O-N 3.22Å; S604-A607 WeakPolarHBondContact O-CA 3.4Å; S604-A607 WeakPolarHBondContact O-CB 3.46Å; S604-A607 PolarHBondContact O-N 2.87Å; S604-A607 WeakPolarHBondContact OG-CB 3.02Å; S604-A607 PolarHBondContact OG-N 3.45Å; S604-A607 VanDerWaalsContact OG-N 3.13Å; S604-L608 PolarHBondContact O-N 2.74Å
605	W	91.8	Very high	92.6	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.027	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.5	171.9	-84.2	96.7	0	0	0	113	I445 R449 I452 Q453 D544 I570 E571 L608	I445-W605 HydrophobicContact CG2-CZ2 4.37Å; R449-W605 HydrophobicContact CB-CD2 3.8Å; R449-W605 HydrophobicContact CB-CE3 4.04Å; R449-W605 HydrophobicContact CB-CG 4.41Å; R449-W605 HydrophobicContact CB-CH2 3.98Å; R449-W605 HydrophobicContact CB-CZ2 3.72Å; R449-W605 HydrophobicContact CB-CZ3 4.14Å; R449-W605 HydrophobicContact CG-CD2 3.75Å; R449-W605 HydrophobicContact CG-CE3 4.44Å; R449-W605 HydrophobicContact CG-CG 3.85Å; R449-W605 HydrophobicContact CG-CZ2 4.18Å; R449-W605 WeakPolarHBondContact O-CZ3 3.33Å; I452-W605 HydrophobicContact CB-CE3 4Å; I452-W605 HydrophobicContact CB-CZ3 4.42Å; I452-W605 HydrophobicContact CD1-CB 4.35Å; I452-W605 HydrophobicContact CG2-CE3 3.8Å; I452-W605 HydrophobicContact CG2-CZ3 4.39Å; I452-W605 WeakPolarHBondContact CG2-O 3.38Å; Q453-W605 HydrophobicContact CB-CZ3 4.5Å; Q453-W605 HydrophobicContact CG-CH2 3.44Å; Q453-W605 VanDerWaalsContact CG-CH2 3.44Å; Q453-W605 HydrophobicContact CG-CZ3 3.42Å; Q453-W605 VanDerWaalsContact CG-CZ3 3.42Å; D544-W605 HydrophobicContact CB-CZ2 3.79Å; D544-W605 VanDerWaalsContact CG-CZ2 3.47Å; D544-W605 VanDerWaalsContact CG-NE1 3.33Å; D544-W605 PolarHBondContact OD1-NE1 3.43Å; D544-W605 WeakPolarHBondContact OD2-CZ2 3.32Å; D544-W605 PolarHBondContact OD2-NE1 3.33Å; I570-W605 HydrophobicContact CB-CZ2 4.36Å; I570-W605 HydrophobicContact CD1-CE3 4.26Å; I570-W605 HydrophobicContact CD1-CH2 3.58Å; I570-W605 HydrophobicContact CD1-CZ2 3.99Å; I570-W605 HydrophobicContact CD1-CZ3 3.72Å; I570-W605 HydrophobicContact CG2-CD2 3.63Å; I570-W605 HydrophobicContact CG2-CE3 4.16Å; I570-W605 HydrophobicContact CG2-CG 3.84Å; I570-W605 HydrophobicContact CG2-CZ2 4.12Å; E571-W605 PolarHBondContact OE1-N 3.36Å; W605-L608 HydrophobicContact CE3-CD2 4.13Å; W605-L608 HydrophobicContact CZ3-CD2 3.96Å; W605-L608 WeakPolarHBondContact O-CB 3.4Å; W605-L608 PolarHBondContact O-N 2.64Å
606	F	89.9	Confident	93.2	Very high	155 Å²	155	53.1 Å²	53.1	68%	0.68	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-27.2	174.1	-59.2	-81.2	0	0	0	113.1	S604	S604-F606 PolarHBondContact O-N 3.22Å
607	A	93.1	Very high	93.6	Very high	25 Å²	25	59.1 Å²	59.1	21%	0.207	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.8	176.3	0	0	0	0	0	113.4	V602 S604 R609 K610	V602-A607 HydrophobicContact CG1-CB 4.03Å; S604-A607 WeakPolarHBondContact O-CA 3.4Å; S604-A607 WeakPolarHBondContact O-CB 3.46Å; S604-A607 PolarHBondContact O-N 2.87Å; S604-A607 WeakPolarHBondContact OG-CB 3.02Å; S604-A607 PolarHBondContact OG-N 3.45Å; S604-A607 VanDerWaalsContact OG-N 3.13Å; A607-R609 PolarHBondContact O-N 2.59Å; A607-R609 VanDerWaalsContact O-N 3.11Å; A607-K610 WeakPolarHBondContact O-CA 3.34Å; A607-K610 VanDerWaalsContact O-CB 3.28Å; A607-K610 WeakPolarHBondContact O-CB 3.14Å; A607-K610 PolarHBondContact O-N 2.89Å
608	L	94.1	Very high	93.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-52.1	-37.4	-177.7	-177.8	61.3	0	0	0	113.3	I452 F456 V568 I570 V602 S604 W605 K610 A611	I452-L608 HydrophobicContact CG2-CD2 4.22Å; F456-L608 HydrophobicContact CB-CD2 3.7Å; F456-L608 HydrophobicContact CB-CG 3.94Å; F456-L608 HydrophobicContact CD1-CD1 4.36Å; F456-L608 HydrophobicContact CD1-CD2 4.32Å; F456-L608 HydrophobicContact CD1-CG 4.36Å; F456-L608 HydrophobicContact CD2-CD1 3.88Å; F456-L608 HydrophobicContact CD2-CD2 4.25Å; F456-L608 HydrophobicContact CD2-CG 3.58Å; F456-L608 WeakPolarHBondContact CD2-O 3.25Å; F456-L608 HydrophobicContact CE1-CD1 4.4Å; F456-L608 HydrophobicContact CE2-CD1 3.9Å; F456-L608 HydrophobicContact CE2-CG 4.11Å; F456-L608 WeakPolarHBondContact CE2-O 3.29Å; F456-L608 HydrophobicContact CG-CD1 4.1Å; F456-L608 HydrophobicContact CG-CD2 3.85Å; F456-L608 HydrophobicContact CG-CG 3.7Å; F456-L608 HydrophobicContact CZ-CD1 4.16Å; V568-L608 HydrophobicContact CG1-CD1 3.8Å; I570-L608 HydrophobicContact CD1-CD1 3.98Å; I570-L608 HydrophobicContact CD1-CD2 3.9Å; I570-L608 HydrophobicContact CG1-CD1 4.19Å; V602-L608 HydrophobicContact CG1-CB 4.1Å; V602-L608 HydrophobicContact CG1-CD1 4.42Å; V602-L608 HydrophobicContact CG2-CD1 4.29Å; S604-L608 PolarHBondContact O-N 2.74Å; W605-L608 HydrophobicContact CE3-CD2 4.13Å; W605-L608 HydrophobicContact CZ3-CD2 3.96Å; W605-L608 WeakPolarHBondContact O-CB 3.4Å; W605-L608 PolarHBondContact O-N 2.64Å; L608-K610 PolarHBondContact O-N 2.99Å; L608-A611 WeakPolarHBondContact O-CB 3.35Å; L608-A611 PolarHBondContact O-N 2.04Å
609	R	93.8	Very high	93.9	Very high	179 Å²	179	61.6 Å²	61.6	68%	0.675	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-60.6	-26.9	176.2	-161.5	178	-169	-135.5	-3.5	113.6	D459 A607 A611 V612	D459-R609 IonicContact OD2-CZ 2.62Å; D459-R609 IonicContact OD2-NE 3.2Å; D459-R609 PolarHBondContact OD2-NE 2.85Å; D459-R609 IonicContact OD2-NH2 3.72Å; D459-R609 PolarHBondContact OD2-NH2 2.97Å; A607-R609 PolarHBondContact O-N 2.59Å; A607-R609 VanDerWaalsContact O-N 3.11Å; R609-A611 VanDerWaalsContact C-N 3.3Å; R609-V612 WeakPolarHBondContact O-CG2 3.37Å
610	K	94.7	Very high	93.9	Very high	173 Å²	173	61.9 Å²	61.9	75%	0.752	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-73.3	-21.5	175.3	-58	-176.3	179.2	-178.1	0	112.6	A607 L608 V612 P614	A607-K610 WeakPolarHBondContact O-CA 3.34Å; A607-K610 VanDerWaalsContact O-CB 3.28Å; A607-K610 WeakPolarHBondContact O-CB 3.14Å; A607-K610 PolarHBondContact O-N 2.89Å; L608-K610 PolarHBondContact O-N 2.99Å; K610-V612 VanDerWaalsContact C-N 3.3Å; K610-V612 PolarHBondContact O-N 2.8Å; K610-P614 WeakPolarHBondContact O-CD 3.17Å
611	A	95.7	Very high	93.8	Very high	8 Å²	8	63.4 Å²	63.4	7%	0.066	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-76.6	-13.8	178.8	0	0	0	0	0	113.6	F456 V602 L608 R609 Q613 P614 L615	F456-A611 HydrophobicContact CE2-CB 4.25Å; V602-A611 HydrophobicContact CG2-CB 3.89Å; L608-A611 WeakPolarHBondContact O-CB 3.35Å; L608-A611 PolarHBondContact O-N 2.04Å; R609-A611 VanDerWaalsContact C-N 3.3Å; A611-Q613 PolarHBondContact O-N 2.93Å; A611-P614 WeakPolarHBondContact O-CD 3.04Å; A611-L615 VanDerWaalsContact O-CB 3.22Å; A611-L615 WeakPolarHBondContact O-CB 3.18Å; A611-L615 PolarHBondContact O-N 2.91Å
612	V	96.3	Very high	93.5	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-55.3	-53.1	-178.6	175.4	0	0	0	0	111.8	F456 D459 V460 V463 R609 K610 L615 V616	F456-V612 HydrophobicContact CD2-CG2 3.52Å; F456-V612 HydrophobicContact CE2-CB 4.41Å; F456-V612 HydrophobicContact CE2-CG2 3.52Å; D459-V612 HydrophobicContact CB-CG2 4.32Å; V460-V612 HydrophobicContact CG2-CB 4.37Å; V460-V612 HydrophobicContact CG2-CG1 4.02Å; V460-V612 HydrophobicContact CG2-CG2 4.05Å; V463-V612 HydrophobicContact CB-CG1 3.93Å; V463-V612 HydrophobicContact CG1-CG1 4.17Å; V463-V612 HydrophobicContact CG2-CG1 3.9Å; R609-V612 WeakPolarHBondContact O-CG2 3.37Å; K610-V612 VanDerWaalsContact C-N 3.3Å; K610-V612 PolarHBondContact O-N 2.8Å; V612-L615 PolarHBondContact O-N 3.29Å; V612-V616 WeakPolarHBondContact O-CB 3.2Å; V612-V616 WeakPolarHBondContact O-CG2 3.48Å; V612-V616 PolarHBondContact O-N 3.3Å
613	Q	95.6	Very high	92.9	Very high	121 Å²	121	68 Å²	68	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-68.1	-46.6	-177.2	-70.5	-71.2	-6.4	0	0	112.8	A611 L615 V616 K617	A611-Q613 PolarHBondContact O-N 2.93Å; Q613-L615 VanDerWaalsContact C-N 3.35Å; Q613-L615 PolarHBondContact O-N 3.05Å; Q613-V616 PolarHBondContact O-N 3.34Å; Q613-K617 WeakPolarHBondContact O-CB 3.43Å; Q613-K617 PolarHBondContact O-N 2.94Å
614	P	95.9	Very high	92.6	Very high	55 Å²	55	66.7 Å²	66.7	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-57.1	-40.6	170.4	-28.1	35.4	0	0	0	114.4	L600 K610 A611 R618	L600-P614 HydrophobicContact CD2-CB 4.06Å; K610-P614 WeakPolarHBondContact O-CD 3.17Å; A611-P614 WeakPolarHBondContact O-CD 3.04Å; P614-R618 WeakPolarHBondContact O-CD 3.28Å; P614-R618 WeakPolarHBondContact O-CG 3.42Å; P614-R618 PolarHBondContact O-N 2.71Å; P614-R618 VanDerWaalsContact O-N 3.16Å
615	L	96.4	Very high	92.4	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-53.4	177.8	176.6	65.5	0	0	0	110.9	F437 F456 V460 V540 L600 A611 V612 Q613 K617 R618 V619	F437-L615 HydrophobicContact CE1-CD2 3.88Å; F437-L615 HydrophobicContact CZ-CD2 4.02Å; F456-L615 HydrophobicContact CE1-CD2 4.25Å; F456-L615 HydrophobicContact CZ-CD2 3.77Å; V460-L615 HydrophobicContact CG2-CD2 4.19Å; V540-L615 HydrophobicContact CG1-CD1 3.95Å; V540-L615 HydrophobicContact CG1-CD2 4.06Å; V540-L615 HydrophobicContact CG2-CD1 4.17Å; L600-L615 HydrophobicContact CD1-CB 3.86Å; L600-L615 HydrophobicContact CD1-CD1 3.54Å; L600-L615 HydrophobicContact CD1-CG 4.28Å; A611-L615 VanDerWaalsContact O-CB 3.22Å; A611-L615 WeakPolarHBondContact O-CB 3.18Å; A611-L615 PolarHBondContact O-N 2.91Å; V612-L615 PolarHBondContact O-N 3.29Å; Q613-L615 VanDerWaalsContact C-N 3.35Å; Q613-L615 PolarHBondContact O-N 3.05Å; L615-K617 VanDerWaalsContact C-N 3.32Å; L615-K617 PolarHBondContact O-N 3.18Å; L615-R618 PolarHBondContact O-N 3.33Å; L615-R618 VanDerWaalsContact O-N 3.08Å; L615-V619 HydrophobicContact CD1-CG2 3.67Å; L615-V619 HydrophobicContact CG-CG2 4.23Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 2.91Å
616	V	95.3	Very high	91.6	Very high	15 Å²	15	68.7 Å²	68.7	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-56.6	-46.7	-179.8	165.9	0	0	0	0	110.9	V460 V463 I464 V612 Q613 R618 V619 C620	V460-V616 HydrophobicContact CG1-CG2 4.09Å; V463-V616 HydrophobicContact CG1-CB 4.38Å; V463-V616 HydrophobicContact CG1-CG1 4.3Å; V463-V616 HydrophobicContact CG1-CG2 4.09Å; I464-V616 HydrophobicContact CB-CG1 4.26Å; I464-V616 HydrophobicContact CB-CG2 3.9Å; I464-V616 HydrophobicContact CD1-CG2 4.46Å; I464-V616 HydrophobicContact CG1-CG1 4.03Å; I464-V616 HydrophobicContact CG1-CG2 4.21Å; V612-V616 WeakPolarHBondContact O-CB 3.2Å; V612-V616 WeakPolarHBondContact O-CG2 3.48Å; V612-V616 PolarHBondContact O-N 3.3Å; Q613-V616 PolarHBondContact O-N 3.34Å; V616-R618 VanDerWaalsContact C-N 3.31Å; V616-R618 PolarHBondContact O-N 2.95Å; V616-V619 PolarHBondContact O-N 3.39Å; V616-C620 PolarHBondContact O-N 2.7Å; V616-C620 PolarHBondContact O-SG 2.91Å; V616-C620 VanDerWaalsContact O-SG 3.41Å
617	K	94.6	Very high	91.3	Very high	163 Å²	163	62.4 Å²	62.4	71%	0.709	30%	0.303	S	S	*	.	H	α-helix	trans	-58.2	-41.1	176.7	-176.1	171	-178.6	174.3	0	112.7	Q613 L615 D621	Q613-K617 WeakPolarHBondContact O-CB 3.43Å; Q613-K617 PolarHBondContact O-N 2.94Å; L615-K617 VanDerWaalsContact C-N 3.32Å; L615-K617 PolarHBondContact O-N 3.18Å; K617-D621 WeakPolarHBondContact O-CB 3.21Å; K617-D621 PolarHBondContact O-N 3.48Å
618	R	95.1	Very high	90.7	Very high	61 Å²	61	61.4 Å²	61.4	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-75.9	-29.1	-179.7	-68.2	166	174.5	-150.4	6.8	113.5	F566 G596 F597 S599 P614 L615 V616	F566-R618 HydrophobicContact CE1-CB 3.81Å; F566-R618 HydrophobicContact CZ-CB 4.27Å; G596-R618 PolarHBondContact O-NH1 2.72Å; G596-R618 PolarHBondContact O-NH2 2.95Å; F597-R618 VanDerWaalsContact C-NH1 3.35Å; F597-R618 HydrophobicContact CD2-CB 4.42Å; F597-R618 HydrophobicContact CD2-CG 4Å; F597-R618 HydrophobicContact CE2-CB 3.85Å; F597-R618 HydrophobicContact CE2-CG 3.75Å; F597-R618 HydrophobicContact CZ-CB 4.01Å; F597-R618 HydrophobicContact CZ-CG 4.41Å; F597-R618 VanDerWaalsContact CZ-O 3.25Å; F597-R618 WeakPolarHBondContact CZ-O 3.41Å; F597-R618 WeakPolarHBondContact O-CD 3.12Å; F597-R618 PolarHBondContact O-NH1 2.92Å; S599-R618 PolarHBondContact O-NH1 2.81Å; P614-R618 WeakPolarHBondContact O-CD 3.28Å; P614-R618 WeakPolarHBondContact O-CG 3.42Å; P614-R618 PolarHBondContact O-N 2.71Å; P614-R618 VanDerWaalsContact O-N 3.16Å; L615-R618 PolarHBondContact O-N 3.33Å; L615-R618 VanDerWaalsContact O-N 3.08Å; V616-R618 VanDerWaalsContact C-N 3.31Å; V616-R618 PolarHBondContact O-N 2.95Å
619	V	94.7	Very high	90	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-84.5	-27.2	-178.9	174.6	0	0	0	0	112	V433 L435 I464 V538 V540 F566 L615 V616	V433-V619 HydrophobicContact CG2-CG1 4.23Å; L435-V619 HydrophobicContact CD1-CG1 3.96Å; L435-V619 HydrophobicContact CD2-CG1 3.73Å; L435-V619 HydrophobicContact CG-CG1 3.78Å; I464-V619 HydrophobicContact CD1-CG1 4.48Å; V538-V619 HydrophobicContact CB-CG1 4.34Å; V538-V619 HydrophobicContact CG1-CG1 4Å; V538-V619 HydrophobicContact CG1-CG2 4.16Å; V538-V619 HydrophobicContact CG2-CG1 4.29Å; V540-V619 HydrophobicContact CG2-CG2 4.42Å; F566-V619 HydrophobicContact CD2-CG2 4.27Å; F566-V619 HydrophobicContact CE1-CG2 4.48Å; F566-V619 HydrophobicContact CE2-CG2 4.05Å; F566-V619 HydrophobicContact CZ-CG2 4.16Å; L615-V619 HydrophobicContact CD1-CG2 3.67Å; L615-V619 HydrophobicContact CG-CG2 4.23Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 2.91Å; V616-V619 PolarHBondContact O-N 3.39Å
620	C	93.4	Very high	89.3	Confident	34 Å²	34	56.4 Å²	56.4	23%	0.23	28%	0.279	C	S	.	.	S	Bend	trans	-82.4	-8.8	170.1	-61.2	0	0	0	0	114.2	C431 V616 T622	C431-C620 HydrophobicContact CB-CB 3.75Å; C431-C620 WeakPolarHBondContact CB-SG 3.07Å; C431-C620 WeakPolarHBondContact SG-CA 3.41Å; C431-C620 WeakPolarHBondContact SG-CB 3.47Å; C431-C620 CovalentContact SG-SG 2.03Å; C431-C620 PolarHBondContact SG-SG 2.95Å; V616-C620 PolarHBondContact O-N 2.7Å; V616-C620 PolarHBondContact O-SG 2.91Å; V616-C620 VanDerWaalsContact O-SG 3.41Å; C620-T622 VanDerWaalsContact C-N 3.27Å; C620-T622 PolarHBondContact O-N 3.32Å
621	D	91.1	Very high	88.8	Confident	43 Å²	43	48.2 Å²	48.2	23%	0.23	24%	0.244	C	C	.	.			trans	-81.4	71.2	179.9	-172.4	-16.2	0	0	0	109.5	F597 K617 D623 R624	F597-D621 HydrophobicContact CE2-CB 4.48Å; F597-D621 HydrophobicContact CZ-CB 4.12Å; K617-D621 WeakPolarHBondContact O-CB 3.21Å; K617-D621 PolarHBondContact O-N 3.48Å; D621-D623 VanDerWaalsContact C-N 3.25Å; D621-D623 PolarHBondContact O-N 2.91Å; D621-R624 VanDerWaalsContact CG-CD 3.42Å; D621-R624 PolarHBondContact O-N 3.11Å; D621-R624 VanDerWaalsContact O-N 3.16Å; D621-R624 WeakPolarHBondContact OD1-CD 3.12Å; D621-R624 WeakPolarHBondContact OD1-CG 3.31Å; D621-R624 WeakPolarHBondContact OD2-CD 3.45Å; D621-R624 IonicContact OD2-CZ 3.08Å; D621-R624 IonicContact OD2-NE 3.86Å; D621-R624 IonicContact OD2-NH1 2.85Å; D621-R624 PolarHBondContact OD2-NH1 3.1Å
622	T	85.4	Confident	88.4	Confident	53 Å²	53	50.3 Å²	50.3	33%	0.325	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-54.6	-38.5	-168.7	45.5	0	0	0	0	113.7	V433 P536 C620 R624 L625	V433-T622 HydrophobicContact CG1-CG2 4.11Å; P536-T622 HydrophobicContact CG-CG2 4.29Å; C620-T622 VanDerWaalsContact C-N 3.27Å; C620-T622 PolarHBondContact O-N 3.32Å; T622-R624 PolarHBondContact O-N 3.12Å; T622-R624 VanDerWaalsContact O-N 3.16Å; T622-L625 WeakPolarHBondContact O-CB 3.42Å; T622-L625 PolarHBondContact O-N 2.8Å
623	D	80.8	Confident	87.7	Confident	147 Å²	147	51.4 Å²	51.4	79%	0.786	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-71.7	-14.6	-171.3	-52.3	-4.4	0	0	0	111.4	D621	D621-D623 VanDerWaalsContact C-N 3.25Å; D621-D623 PolarHBondContact O-N 2.91Å
624	R	84.8	Confident	87.3	Confident	118 Å²	118	45.9 Å²	45.9	45%	0.445	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-104.6	3.1	176.6	-62.6	173.8	77.4	-166.9	3.9	113.4	F597 D621 T622 V626	F597-R624 VanDerWaalsContact CD2-CZ 3.43Å; F597-R624 HydrophobicContact CE1-CB 3.85Å; F597-R624 HydrophobicContact CE2-CB 4.34Å; F597-R624 VanDerWaalsContact CE2-CZ 3.49Å; F597-R624 VanDerWaalsContact CE2-NH1 3.27Å; F597-R624 HydrophobicContact CZ-CB 3.69Å; D621-R624 VanDerWaalsContact CG-CD 3.42Å; D621-R624 PolarHBondContact O-N 3.11Å; D621-R624 VanDerWaalsContact O-N 3.16Å; D621-R624 WeakPolarHBondContact OD1-CD 3.12Å; D621-R624 WeakPolarHBondContact OD1-CG 3.31Å; D621-R624 WeakPolarHBondContact OD2-CD 3.45Å; D621-R624 IonicContact OD2-CZ 3.08Å; D621-R624 IonicContact OD2-NE 3.86Å; D621-R624 IonicContact OD2-NH1 2.85Å; D621-R624 PolarHBondContact OD2-NH1 3.1Å; T622-R624 PolarHBondContact O-N 3.12Å; T622-R624 VanDerWaalsContact O-N 3.16Å; R624-V626 WeakPolarHBondContact O-CG2 2.92Å; R624-V626 PolarHBondContact O-N 3.3Å
625	L	87.5	Confident	87.1	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.042	22%	0.217	C	C	.	.			trans	-80.9	54	175.9	-65.7	-176.9	0	0	0	111.8	V433 P536 V538 N564 F566 F597 T622 C627 S628	V433-L625 HydrophobicContact CG1-CD1 3.93Å; P536-L625 HydrophobicContact CB-CB 4.33Å; P536-L625 HydrophobicContact CB-CD1 3.54Å; P536-L625 HydrophobicContact CG-CD1 4.05Å; V538-L625 HydrophobicContact CG2-CD1 3.81Å; V538-L625 HydrophobicContact CG2-CD2 4.33Å; N564-L625 HydrophobicContact CB-CD2 4.19Å; N564-L625 WeakPolarHBondContact ND2-CB 3.4Å; N564-L625 PolarHBondContact ND2-O 2.89Å; N564-L625 WeakPolarHBondContact OD1-CA 3.45Å; N564-L625 PolarHBondContact OD1-O 2.77Å; F566-L625 HydrophobicContact CE2-CD2 3.76Å; F566-L625 HydrophobicContact CZ-CD2 3.91Å; F597-L625 HydrophobicContact CE1-CD2 4.48Å; T622-L625 WeakPolarHBondContact O-CB 3.42Å; T622-L625 PolarHBondContact O-N 2.8Å; L625-C627 PolarHBondContact O-N 3.33Å; L625-S628 WeakPolarHBondContact O-CB 3.42Å; L625-S628 PolarHBondContact O-N 3.28Å
626	V	75.9	Confident	87	Confident	77 Å²	77	43.1 Å²	43.1	47%	0.467	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.4	-166.2	-168.8	0	0	0	0	115.3	N564 R624 S628	N564-V626 PolarHBondContact OD1-N 3.17Å; R624-V626 WeakPolarHBondContact O-CG2 2.92Å; R624-V626 PolarHBondContact O-N 3.3Å; V626-S628 VanDerWaalsContact C-N 3.32Å
627	C	82.4	Confident	87.1	Confident	22 Å²	22	42.5 Å²	42.5	15%	0.149	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.8	174.1	-73.8	0	0	0	0	113.7	G562 I563 N564 C592 L625 K629	G562-C627 CarbonylContact C-O 3.47Å; G562-C627 WeakPolarHBondContact CA-O 3.42Å; I563-C627 WeakPolarHBondContact O-CB 3.43Å; N564-C627 WeakPolarHBondContact OD1-CB 3.38Å; N564-C627 PolarHBondContact OD1-N 2.76Å; C592-C627 VanDerWaalsContact CA-SG 3.59Å; C592-C627 HydrophobicContact CB-CB 4.21Å; C592-C627 WeakPolarHBondContact CB-SG 3.29Å; C592-C627 WeakPolarHBondContact SG-CB 3.14Å; C592-C627 CovalentContact SG-SG 2.02Å; C592-C627 PolarHBondContact SG-SG 2.96Å; L625-C627 PolarHBondContact O-N 3.33Å; C627-K629 PolarHBondContact O-N 3.18Å
628	S	80.5	Confident	87.3	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	18%	0.179	C	C	.	.			trans	-74.7	108.5	-164.9	-98.6	0	0	0	0	112.3	P536 N537 G562 N564 L625 V626 T630 N633	P536-S628 VanDerWaalsContact CA-OG 3.31Å; P536-S628 WeakPolarHBondContact CA-OG 3.26Å; P536-S628 WeakPolarHBondContact CB-OG 3.29Å; N537-S628 PolarHBondContact N-OG 2.79Å; N537-S628 PolarHBondContact O-OG 2.72Å; G562-S628 WeakPolarHBondContact O-CA 3.26Å; N564-S628 WeakPolarHBondContact ND2-CB 3.44Å; N564-S628 PolarHBondContact ND2-N 3.32Å; N564-S628 VanDerWaalsContact ND2-N 3.14Å; N564-S628 PolarHBondContact ND2-OG 2.95Å; L625-S628 WeakPolarHBondContact O-CB 3.42Å; L625-S628 PolarHBondContact O-N 3.28Å; V626-S628 VanDerWaalsContact C-N 3.32Å; S628-T630 PolarHBondContact O-N 2.9Å; S628-N633 PolarHBondContact O-ND2 2.91Å; S628-N633 PolarHBondContact O-OD1 2.73Å
629	K	79.2	Confident	87.4	Confident	60 Å²	60	31.9 Å²	31.9	26%	0.261	17%	0.168	S	C	.	.			trans	-77.2	109	161.7	-64.5	178.2	176.8	176.8	0	108.2	E560 C627 A634 F813 R818	E560-K629 VanDerWaalsContact O-CE 3.32Å; E560-K629 WeakPolarHBondContact O-CE 3.19Å; E560-K629 PolarHBondContact O-NZ 3.46Å; C627-K629 PolarHBondContact O-N 3.18Å; K629-A634 HydrophobicContact CB-CB 4.03Å; K629-A634 HydrophobicContact CG-CB 4.39Å; K629-F813 HydrophobicContact CB-CZ 4.31Å; K629-R818 PolarHBondContact O-NH1 2.83Å; K629-R818 PolarHBondContact O-NH2 3Å
630	T	80.8	Confident	87.6	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.08	17%	0.168	C	C	.	.			trans	-109.5	165.7	168.9	73.7	0	0	0	0	109.9	G533 P536 S628 L632 N633 A634	G533-T630 CarbonylContact O-C 3.54Å; G533-T630 WeakPolarHBondContact O-CA 3.17Å; G533-T630 WeakPolarHBondContact O-CB 3.47Å; P536-T630 HydrophobicContact CG-CG2 4.4Å; S628-T630 PolarHBondContact O-N 2.9Å; T630-L632 PolarHBondContact O-N 3.37Å; T630-L632 PolarHBondContact OG1-N 3.02Å; T630-L632 VanDerWaalsContact OG1-N 3.17Å; T630-N633 PolarHBondContact N-OD1 2.69Å; T630-N633 PolarHBondContact O-N 2.74Å; T630-N633 PolarHBondContact O-OD1 2.75Å; T630-N633 PolarHBondContact OG1-OD1 2.98Å; T630-A634 VanDerWaalsContact O-CB 3.22Å; T630-A634 WeakPolarHBondContact O-CB 3.4Å; T630-A634 PolarHBondContact O-N 3.37Å
631	C	84.4	Confident	87.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-8.7	171.8	63.1	0	0	0	0	114.4	G533 G534 N635 F666 C810 F813	G533-C631 PolarHBondContact O-N 2.8Å; G533-C631 VanDerWaalsContact O-N 3.1Å; G534-C631 WeakPolarHBondContact CA-SG 3.31Å; C631-N635 PolarHBondContact O-ND2 3.49Å; C631-F666 WeakPolarHBondContact O-CE1 3.49Å; C631-C810 HydrophobicContact CB-CB 3.64Å; C631-C810 WeakPolarHBondContact CB-SG 3.43Å; C631-C810 WeakPolarHBondContact SG-CB 3.19Å; C631-C810 CovalentContact SG-SG 2.04Å; C631-C810 PolarHBondContact SG-SG 2.8Å; C631-F813 HydrophobicContact CB-CB 3.69Å; C631-F813 HydrophobicContact CB-CD1 3.73Å; C631-F813 HydrophobicContact CB-CD2 4.46Å; C631-F813 HydrophobicContact CB-CG 3.7Å
632	L	85.4	Confident	88.1	Confident	52 Å²	52	28.3 Å²	28.3	27%	0.272	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-20	-177.9	-53.4	-175.2	0	0	0	113.5	T630 F666 E667 T673 I806	T630-L632 PolarHBondContact O-N 3.37Å; T630-L632 PolarHBondContact OG1-N 3.02Å; T630-L632 VanDerWaalsContact OG1-N 3.17Å; L632-F666 HydrophobicContact CD2-CD1 4.49Å; L632-F666 HydrophobicContact CD2-CE1 4.5Å; L632-F666 WeakPolarHBondContact O-CA 3.31Å; L632-F666 WeakPolarHBondContact O-CB 3.39Å; L632-F666 WeakPolarHBondContact O-CD1 3.05Å; L632-E667 PolarHBondContact O-N 3.2Å; L632-T673 PolarHBondContact O-OG1 3.02Å; L632-I806 HydrophobicContact CD2-CG2 4.21Å
633	N	83.3	Confident	88.7	Confident	30 Å²	30	25.8 Å²	25.8	16%	0.16	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-2.1	-178.2	76.6	-15.8	0	0	0	115.1	S628 T630 E667 D672 T673 K734	S628-N633 PolarHBondContact O-ND2 2.91Å; S628-N633 PolarHBondContact O-OD1 2.73Å; T630-N633 PolarHBondContact N-OD1 2.69Å; T630-N633 PolarHBondContact O-N 2.74Å; T630-N633 PolarHBondContact O-OD1 2.75Å; T630-N633 PolarHBondContact OG1-OD1 2.98Å; N633-E667 HydrophobicContact CB-CB 4.41Å; N633-D672 HydrophobicContact CB-CB 3.98Å; N633-D672 WeakPolarHBondContact CB-OD1 3.4Å; N633-D672 PolarHBondContact ND2-OD1 3.43Å; N633-D672 CarbonylContact O-C 3.45Å; N633-D672 WeakPolarHBondContact O-CA 3.42Å; N633-T673 VanDerWaalsContact C-OG1 3.29Å; N633-T673 VanDerWaalsContact CA-OG1 3.25Å; N633-T673 WeakPolarHBondContact CA-OG1 3.42Å; N633-T673 PolarHBondContact O-N 3.17Å; N633-T673 VanDerWaalsContact O-N 3.11Å; N633-K734 PolarHBondContact O-NZ 2.97Å
634	A	87.3	Confident	89.4	Confident	4 Å²	4	18.8 Å²	18.8	3%	0.033	9%	0.094	C	C	.	.	S	Bend	trans	-105.4	20.2	-171.6	0	0	0	0	0	115.1	K629 T630 K734 R735 F813	K629-A634 HydrophobicContact CB-CB 4.03Å; K629-A634 HydrophobicContact CG-CB 4.39Å; T630-A634 VanDerWaalsContact O-CB 3.22Å; T630-A634 WeakPolarHBondContact O-CB 3.4Å; T630-A634 PolarHBondContact O-N 3.37Å; A634-K734 WeakPolarHBondContact O-CA 3.42Å; A634-R735 PolarHBondContact O-N 2.8Å; A634-F813 HydrophobicContact CB-CE2 3.44Å; A634-F813 VanDerWaalsContact CB-CE2 3.44Å; A634-F813 HydrophobicContact CB-CZ 3.56Å
635	N	90.3	Very high	89.9	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.1	-170.1	-43.8	-74.6	0	0	0	114.5	C631 I637 T673 R674 R735 I737	C631-N635 PolarHBondContact O-ND2 3.49Å; N635-I637 HydrophobicContact CB-CD1 4.08Å; N635-I637 HydrophobicContact CB-CG1 3.71Å; N635-T673 HydrophobicContact CB-CG2 4.07Å; N635-T673 PolarHBondContact N-OG1 2.87Å; N635-T673 PolarHBondContact ND2-OG1 3.29Å; N635-T673 VanDerWaalsContact O-CA 3.3Å; N635-T673 WeakPolarHBondContact O-CA 3.41Å; N635-R674 PolarHBondContact O-N 2.92Å; N635-R735 CarbonylContact C-O 3.5Å; N635-R735 WeakPolarHBondContact CA-O 3.34Å; N635-R735 WeakPolarHBondContact OD1-CB 3.26Å; N635-I737 HydrophobicContact CB-CD1 4.12Å
636	D	94.8	Very high	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.3	159.6	-80.6	-20.6	0	0	0	106.7	R674 F690 S730 K731 K734 R735 I737	D636-R674 CarbonylContact C-O 3.59Å; D636-R674 WeakPolarHBondContact CA-O 3.32Å; D636-R674 VanDerWaalsContact CG-NH2 3.29Å; D636-R674 WeakPolarHBondContact OD1-CB 3.33Å; D636-R674 IonicContact OD1-CZ 3.07Å; D636-R674 IonicContact OD1-NE 3.15Å; D636-R674 PolarHBondContact OD1-NE 3.18Å; D636-R674 IonicContact OD1-NH2 2.94Å; D636-R674 PolarHBondContact OD1-NH2 2.87Å; D636-R674 IonicContact OD2-CZ 3.28Å; D636-R674 IonicContact OD2-NH2 2.7Å; D636-R674 PolarHBondContact OD2-NH2 2.86Å; D636-F690 HydrophobicContact CB-CD1 4.48Å; D636-F690 HydrophobicContact CB-CD2 4.28Å; D636-F690 HydrophobicContact CB-CE1 4.17Å; D636-F690 HydrophobicContact CB-CE2 3.92Å; D636-F690 HydrophobicContact CB-CZ 3.86Å; D636-S730 WeakPolarHBondContact OD2-CA 3.3Å; D636-S730 WeakPolarHBondContact OD2-CB 3.38Å; D636-S730 PolarHBondContact OD2-OG 3.36Å; D636-K731 PolarHBondContact OD2-N 2.93Å; D636-K731 VanDerWaalsContact OD2-N 3.13Å; D636-K734 HydrophobicContact CB-CB 4.19Å; D636-R735 PolarHBondContact N-O 2.79Å; D636-I737 PolarHBondContact O-N 3.04Å
637	I	97.1	Very high	91.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.9	-170.1	-52	-178.7	0	0	0	110.8	N635 F639 F666 T673 R674 V675 G676 I737 I739	N635-I637 HydrophobicContact CB-CD1 4.08Å; N635-I637 HydrophobicContact CB-CG1 3.71Å; I637-F639 HydrophobicContact CG2-CE2 4.04Å; I637-F639 HydrophobicContact CG2-CZ 4.22Å; I637-F666 HydrophobicContact CD1-CD1 3.8Å; I637-F666 HydrophobicContact CD1-CD2 3.66Å; I637-F666 HydrophobicContact CD1-CE1 3.68Å; I637-F666 HydrophobicContact CD1-CE2 3.5Å; I637-F666 HydrophobicContact CD1-CG 3.82Å; I637-F666 HydrophobicContact CD1-CZ 3.53Å; I637-T673 HydrophobicContact CD1-CG2 3.69Å; I637-T673 HydrophobicContact CG1-CG2 3.95Å; I637-R674 PolarHBondContact N-O 2.8Å; I637-V675 HydrophobicContact CB-CG2 4.48Å; I637-V675 VanDerWaalsContact O-CA 3.31Å; I637-V675 WeakPolarHBondContact O-CA 3.3Å; I637-G676 PolarHBondContact O-N 2.84Å; I637-I737 CarbonylContact C-O 3.57Å; I637-I737 VanDerWaalsContact CA-O 3.31Å; I637-I737 WeakPolarHBondContact CA-O 3.46Å; I637-I737 HydrophobicContact CG1-CB 4.37Å; I637-I737 HydrophobicContact CG1-CD1 4.49Å; I637-I739 HydrophobicContact CG2-CD1 3.97Å; I637-I739 HydrophobicContact CG2-CG1 4.38Å
638	A	98.3	Very high	91.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.9	173.4	0	0	0	0	0	111	G676 F690 L726 F727 I737 M738 I739	A638-G676 WeakPolarHBondContact CA-O 3.38Å; A638-F690 HydrophobicContact CB-CE1 4.26Å; A638-F690 HydrophobicContact CB-CZ 4.03Å; A638-L726 HydrophobicContact CB-CB 4.48Å; A638-L726 HydrophobicContact CB-CD1 3.52Å; A638-F727 HydrophobicContact CB-CE1 4.19Å; A638-F727 HydrophobicContact CB-CE2 3.62Å; A638-F727 HydrophobicContact CB-CZ 3.35Å; A638-I737 PolarHBondContact N-O 2.97Å; A638-M738 CarbonylContact O-C 3.22Å; A638-M738 WeakPolarHBondContact O-CA 3.45Å; A638-I739 PolarHBondContact O-N 2.9Å
639	F	98.7	Very high	92.2	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	163.9	-65.8	-84.5	0	0	0	109.7	I637 I641 V659 V662 V675 G676 A677 V678 I739	I637-F639 HydrophobicContact CG2-CE2 4.04Å; I637-F639 HydrophobicContact CG2-CZ 4.22Å; F639-I641 HydrophobicContact CB-CD1 4.09Å; F639-I641 HydrophobicContact CB-CG1 3.91Å; F639-V659 HydrophobicContact CB-CG1 4.34Å; F639-V659 HydrophobicContact CB-CG2 4.49Å; F639-V659 HydrophobicContact CD1-CB 4.29Å; F639-V659 HydrophobicContact CD1-CG1 3.91Å; F639-V659 HydrophobicContact CD1-CG2 3.74Å; F639-V659 HydrophobicContact CD2-CG1 3.69Å; F639-V659 HydrophobicContact CE1-CB 4.33Å; F639-V659 HydrophobicContact CE1-CG1 4.05Å; F639-V659 HydrophobicContact CE1-CG2 4.14Å; F639-V659 HydrophobicContact CE2-CG1 3.85Å; F639-V659 HydrophobicContact CG-CG1 3.7Å; F639-V659 HydrophobicContact CG-CG2 4.15Å; F639-V659 HydrophobicContact CZ-CG1 4.02Å; F639-V662 HydrophobicContact CE1-CB 4.22Å; F639-V662 HydrophobicContact CE1-CG1 4.14Å; F639-V662 HydrophobicContact CZ-CB 3.97Å; F639-V662 HydrophobicContact CZ-CG1 3.77Å; F639-V675 HydrophobicContact CD2-CG1 3.64Å; F639-V675 HydrophobicContact CE2-CG1 3.62Å; F639-G676 PolarHBondContact N-O 2.7Å; F639-A677 WeakPolarHBondContact O-CA 3.13Å; F639-V678 PolarHBondContact O-N 2.66Å; F639-I739 WeakPolarHBondContact CA-O 3.27Å; F639-I739 HydrophobicContact CD1-CB 3.92Å; F639-I739 HydrophobicContact CD1-CD1 4.34Å; F639-I739 HydrophobicContact CD1-CG2 4.18Å; F639-I739 HydrophobicContact CE1-CB 4.15Å; F639-I739 HydrophobicContact CE1-CD1 3.71Å; F639-I739 HydrophobicContact CE1-CG1 4.44Å; F639-I739 HydrophobicContact CE1-CG2 4.27Å; F639-I739 HydrophobicContact CZ-CD1 4.15Å
640	V	98.6	Very high	92.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	101.9	174.9	-175.2	0	0	0	0	106.7	V678 Y680 A718 A722 M738 I739 V740 I741	V640-V678 WeakPolarHBondContact CA-O 3.47Å; V640-Y680 HydrophobicContact CG1-CD1 3.8Å; V640-Y680 HydrophobicContact CG1-CE1 3.9Å; V640-A718 HydrophobicContact CG1-CB 3.66Å; V640-A722 HydrophobicContact CG2-CB 3.58Å; V640-M738 HydrophobicContact CG2-CG 3.81Å; V640-M738 HydrophobicContact CG2-SD 4.02Å; V640-I739 PolarHBondContact N-O 3.39Å; V640-V740 HydrophobicContact CB-CG2 4.2Å; V640-V740 WeakPolarHBondContact O-CA 3.44Å; V640-I741 PolarHBondContact O-N 2.87Å
641	I	98.4	Very high	93.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.8	-160	-52.7	175.5	0	0	0	109.4	F639 G643 F652 V655 L656 V659 A677 V678 Q679 Y680 I706	F639-I641 HydrophobicContact CB-CD1 4.09Å; F639-I641 HydrophobicContact CB-CG1 3.91Å; I641-G643 PolarHBondContact O-N 2.78Å; I641-F652 HydrophobicContact CG2-CE2 3.82Å; I641-F652 HydrophobicContact CG2-CZ 4.42Å; I641-V655 HydrophobicContact CG2-CG1 3.77Å; I641-L656 HydrophobicContact CD1-CD2 4.24Å; I641-V659 HydrophobicContact CD1-CG2 4.09Å; I641-V659 HydrophobicContact CG1-CG2 4.42Å; I641-A677 HydrophobicContact CD1-CB 4.47Å; I641-V678 PolarHBondContact N-O 3.32Å; I641-Q679 CarbonylContact O-C 3.6Å; I641-Q679 WeakPolarHBondContact O-CA 3.43Å; I641-Y680 VanDerWaalsContact C-CD1 3.49Å; I641-Y680 VanDerWaalsContact C-CE1 3.49Å; I641-Y680 VanDerWaalsContact O-CD1 3.22Å; I641-Y680 WeakPolarHBondContact O-CD1 3.27Å; I641-Y680 PolarHBondContact O-N 3.49Å; I641-I706 HydrophobicContact CD1-CD1 4.23Å
642	D	97.4	Very high	94.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.9	171.3	-170.8	-12.1	0	0	0	110.5	S644 V647 Y680 T713 I741 T742 D743	D642-S644 WeakPolarHBondContact OD1-CA 3.44Å; D642-S644 WeakPolarHBondContact OD1-CB 3.37Å; D642-S644 PolarHBondContact OD1-N 3.01Å; D642-S644 PolarHBondContact OD1-OG 2.91Å; D642-S644 PolarHBondContact OD2-OG 2.67Å; D642-V647 HydrophobicContact CB-CG2 4.36Å; D642-Y680 HydrophobicContact CB-CE1 3.91Å; D642-Y680 VanDerWaalsContact N-CE1 3.3Å; D642-T713 WeakPolarHBondContact OD2-CG2 3.4Å; D642-I741 VanDerWaalsContact CB-O 3.23Å; D642-I741 WeakPolarHBondContact CB-O 3.4Å; D642-I741 PolarHBondContact N-O 2.69Å; D642-T742 WeakPolarHBondContact OD2-CA 3.18Å; D642-T742 PolarHBondContact OD2-OG1 3.21Å; D642-D743 PolarHBondContact OD2-N 3.18Å
643	G	96.6	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.156	C	C	.	.			trans	-114	18.9	174.6	0	0	0	0	0	112.8	I641 Y680 T681 Y708 S710	I641-G643 PolarHBondContact O-N 2.78Å; G643-Y680 PolarHBondContact N-O 3.35Å; G643-T681 WeakPolarHBondContact O-CG2 3.47Å; G643-Y708 WeakPolarHBondContact O-CE2 3.44Å; G643-S710 WeakPolarHBondContact O-CA 3.49Å; G643-S710 PolarHBondContact O-N 3.07Å
644	S	96	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.			trans	-68.1	167.5	-175.8	67.5	0	0	0	0	113.9	D642 S646 V647 Y708 G711 G712 T713	D642-S644 WeakPolarHBondContact OD1-CA 3.44Å; D642-S644 WeakPolarHBondContact OD1-CB 3.37Å; D642-S644 PolarHBondContact OD1-N 3.01Å; D642-S644 PolarHBondContact OD1-OG 2.91Å; D642-S644 PolarHBondContact OD2-OG 2.67Å; S644-S646 VanDerWaalsContact C-N 3.26Å; S644-S646 PolarHBondContact O-N 3.11Å; S644-S646 PolarHBondContact OG-OG 2.86Å; S644-S646 VanDerWaalsContact OG-OG 3.09Å; S644-V647 PolarHBondContact O-N 3.35Å; S644-Y708 WeakPolarHBondContact O-CE2 3.33Å; S644-Y708 PolarHBondContact O-OH 2.77Å; S644-G711 WeakPolarHBondContact CB-O 3.5Å; S644-G712 WeakPolarHBondContact CB-O 3.31Å; S644-T713 VanDerWaalsContact CB-OG1 3.32Å; S644-T713 WeakPolarHBondContact CB-OG1 3.34Å; S644-T713 PolarHBondContact OG-OG1 2.73Å
645	S	94.7	Very high	95.9	Very high	71 Å²	71	24.9 Å²	24.9	50%	0.497	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.9	-176	-63.8	0	0	0	0	114.7	Y708 S710 G711	S645-Y708 WeakPolarHBondContact CA-OH 3.36Å; S645-S710 PolarHBondContact OG-OG 3.02Å; S645-G711 WeakPolarHBondContact CB-O 3.41Å; S645-G711 PolarHBondContact N-O 2.8Å; S645-G711 PolarHBondContact OG-N 2.88Å; S645-G711 PolarHBondContact OG-O 2.85Å
646	S	93.3	Very high	96.2	Very high	70 Å²	70	25.2 Å²	25.2	49%	0.49	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-39.2	173.6	35.7	0	0	0	0	111.8	S644 D743	S644-S646 VanDerWaalsContact C-N 3.26Å; S644-S646 PolarHBondContact O-N 3.11Å; S644-S646 PolarHBondContact OG-OG 2.86Å; S644-S646 VanDerWaalsContact OG-OG 3.09Å; S646-D743 VanDerWaalsContact CB-OD1 3.27Å; S646-D743 WeakPolarHBondContact CB-OD1 3.49Å; S646-D743 WeakPolarHBondContact CB-OD2 3.37Å; S646-D743 PolarHBondContact OG-OD1 2.64Å
647	V	95.3	Very high	96.4	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-56.8	177.3	-178.1	0	0	0	0	110.1	D642 S644 N651 F652 D743 F795	D642-V647 HydrophobicContact CB-CG2 4.36Å; S644-V647 PolarHBondContact O-N 3.35Å; V647-N651 HydrophobicContact CG1-CB 3.98Å; V647-N651 VanDerWaalsContact O-CB 3.26Å; V647-N651 WeakPolarHBondContact O-CB 3.37Å; V647-N651 PolarHBondContact O-ND2 3.44Å; V647-F652 HydrophobicContact CG1-CB 4.01Å; V647-F652 HydrophobicContact CG1-CD2 4.45Å; V647-D743 WeakPolarHBondContact CA-OD2 3.44Å; V647-D743 HydrophobicContact CG2-CB 4.03Å; V647-D743 PolarHBondContact N-OD2 3.42Å; V647-D743 VanDerWaalsContact N-OD2 3.11Å; V647-F795 HydrophobicContact CB-CZ 4.45Å; V647-F795 HydrophobicContact CG1-CE1 3.95Å; V647-F795 HydrophobicContact CG1-CZ 4.07Å; V647-F795 HydrophobicContact CG2-CZ 4.49Å
648	G	93.5	Very high	96.4	Very high	20 Å²	20	29.9 Å²	29.9	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	74.7	161.1	-176.3	0	0	0	0	0	114.5	G650 N651 F652 Y708	G648-G650 PolarHBondContact O-N 2.9Å; G648-N651 PolarHBondContact O-N 3.38Å; G648-F652 WeakPolarHBondContact O-CB 3.45Å; G648-F652 PolarHBondContact O-N 2.98Å; G648-Y708 WeakPolarHBondContact CA-OH 3.4Å; G648-Y708 PolarHBondContact N-OH 3.33Å
649	T	93.1	Very high	96.4	Very high	99 Å²	99	29.9 Å²	29.9	61%	0.607	18%	0.181	S	C	*	.	H	α-helix	trans	-60.2	-38.8	-168.4	50.3	0	0	0	0	114.8	R653 Y708	T649-R653 PolarHBondContact O-N 3.33Å; T649-Y708 HydrophobicContact CG2-CD1 3.52Å; T649-Y708 HydrophobicContact CG2-CE1 3.84Å; T649-Y708 HydrophobicContact CG2-CG 4.13Å
650	G	93.6	Very high	96.3	Very high	49 Å²	49	30 Å²	30	51%	0.505	18%	0.182	S	C	.	.	H	α-helix	trans	-67.4	-56.8	179.8	0	0	0	0	0	112	G648 F652 R653 T654	G648-G650 PolarHBondContact O-N 2.9Å; G650-F652 VanDerWaalsContact C-N 3.26Å; G650-F652 PolarHBondContact O-N 2.9Å; G650-R653 WeakPolarHBondContact O-CB 3.48Å; G650-R653 PolarHBondContact O-N 3.5Å; G650-T654 PolarHBondContact O-N 3.22Å
651	N	95.8	Very high	96.3	Very high	62 Å²	62	32.3 Å²	32.3	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-61.9	-33.5	179.7	-62.8	-40.9	0	0	0	112.4	V647 G648 R653 T654 V655 F795	V647-N651 HydrophobicContact CG1-CB 3.98Å; V647-N651 VanDerWaalsContact O-CB 3.26Å; V647-N651 WeakPolarHBondContact O-CB 3.37Å; V647-N651 PolarHBondContact O-ND2 3.44Å; G648-N651 PolarHBondContact O-N 3.38Å; N651-R653 PolarHBondContact O-N 3.03Å; N651-T654 CarbonylContact O-C 3.59Å; N651-T654 WeakPolarHBondContact O-CA 3.24Å; N651-T654 VanDerWaalsContact O-CB 3.27Å; N651-T654 WeakPolarHBondContact O-CB 3.43Å; N651-T654 PolarHBondContact O-N 3.17Å; N651-V655 PolarHBondContact O-N 2.92Å; N651-F795 HydrophobicContact CB-CB 4.34Å; N651-F795 HydrophobicContact CB-CD1 3.66Å; N651-F795 HydrophobicContact CB-CD2 3.71Å; N651-F795 HydrophobicContact CB-CE1 3.76Å; N651-F795 HydrophobicContact CB-CE2 3.81Å; N651-F795 HydrophobicContact CB-CG 3.64Å; N651-F795 HydrophobicContact CB-CZ 3.82Å; N651-F795 WeakPolarHBondContact OD1-CD2 3.5Å
652	F	97.3	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-34	174.4	-171.1	-102.1	0	0	0	112.2	I641 V647 G648 G650 V655 L656 Q679 I706 Y708	I641-F652 HydrophobicContact CG2-CE2 3.82Å; I641-F652 HydrophobicContact CG2-CZ 4.42Å; V647-F652 HydrophobicContact CG1-CB 4.01Å; V647-F652 HydrophobicContact CG1-CD2 4.45Å; G648-F652 WeakPolarHBondContact O-CB 3.45Å; G648-F652 PolarHBondContact O-N 2.98Å; G650-F652 VanDerWaalsContact C-N 3.26Å; G650-F652 PolarHBondContact O-N 2.9Å; F652-V655 PolarHBondContact O-N 3.39Å; F652-L656 HydrophobicContact CD1-CD1 3.89Å; F652-L656 HydrophobicContact CD1-CG 4.24Å; F652-L656 HydrophobicContact CE1-CD1 3.64Å; F652-L656 HydrophobicContact CE1-CD2 4.39Å; F652-L656 HydrophobicContact CE1-CG 4.05Å; F652-L656 HydrophobicContact CZ-CD1 4.48Å; F652-L656 HydrophobicContact CZ-CD2 4.46Å; F652-L656 WeakPolarHBondContact O-CG 3.35Å; F652-L656 PolarHBondContact O-N 3.47Å; F652-Q679 HydrophobicContact CZ-CG 4.42Å; F652-Q679 VanDerWaalsContact CZ-OE1 3.25Å; F652-I706 HydrophobicContact CE1-CG2 3.99Å; F652-I706 HydrophobicContact CZ-CG2 3.8Å; F652-Y708 HydrophobicContact CB-CD2 3.7Å; F652-Y708 HydrophobicContact CB-CE2 4.38Å; F652-Y708 HydrophobicContact CB-CG 4.45Å; F652-Y708 HydrophobicContact CD1-CD2 4.1Å; F652-Y708 HydrophobicContact CD1-CG 4.38Å; F652-Y708 AromaticContact CD2-CD2 3.85Å; F652-Y708 HydrophobicContact CD2-CD2 3.85Å; F652-Y708 HydrophobicContact CE2-CD2 4.47Å; F652-Y708 AromaticContact CG-CD2 3.63Å; F652-Y708 HydrophobicContact CG-CD2 3.63Å; F652-Y708 HydrophobicContact CG-CG 4.33Å
653	R	96.6	Very high	96.1	Very high	107 Å²	107	32.2 Å²	32.2	40%	0.404	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-36.5	170.9	-64.9	-60.2	-174.9	-157	-4	112	T649 G650 N651 L656 Q657 K704 I706	T649-R653 PolarHBondContact O-N 3.33Å; G650-R653 WeakPolarHBondContact O-CB 3.48Å; G650-R653 PolarHBondContact O-N 3.5Å; N651-R653 PolarHBondContact O-N 3.03Å; R653-L656 PolarHBondContact O-N 2.72Å; R653-Q657 WeakPolarHBondContact O-CG 3.34Å; R653-Q657 PolarHBondContact O-N 2.81Å; R653-K704 PolarHBondContact NH1-O 2.68Å; R653-K704 VanDerWaalsContact NH1-O 3.16Å; R653-I706 PolarHBondContact NH1-O 3.36Å
654	T	96.8	Very high	95.9	Very high	35 Å²	35	36.8 Å²	36.8	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-39.6	172.2	-44.7	0	0	0	0	112	G650 N651 Q657 F658 F795	G650-T654 PolarHBondContact O-N 3.22Å; N651-T654 CarbonylContact O-C 3.59Å; N651-T654 WeakPolarHBondContact O-CA 3.24Å; N651-T654 VanDerWaalsContact O-CB 3.27Å; N651-T654 WeakPolarHBondContact O-CB 3.43Å; N651-T654 PolarHBondContact O-N 3.17Å; T654-Q657 PolarHBondContact O-N 2.97Å; T654-F658 PolarHBondContact O-N 2.6Å; T654-F795 HydrophobicContact CG2-CB 4.27Å; T654-F795 WeakPolarHBondContact CG2-O 3.47Å
655	V	97.6	Very high	95.7	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-45.8	172.9	174.7	0	0	0	0	111.2	I641 N651 F652 Q657 F658 V659 I741 I769 F795 L798	I641-V655 HydrophobicContact CG2-CG1 3.77Å; N651-V655 PolarHBondContact O-N 2.92Å; F652-V655 PolarHBondContact O-N 3.39Å; V655-Q657 VanDerWaalsContact C-N 3.33Å; V655-Q657 PolarHBondContact O-N 3.36Å; V655-F658 WeakPolarHBondContact O-CB 3.29Å; V655-F658 PolarHBondContact O-N 2.94Å; V655-V659 WeakPolarHBondContact O-CG2 3.44Å; V655-V659 PolarHBondContact O-N 3.13Å; V655-I741 HydrophobicContact CG1-CD1 3.89Å; V655-I741 HydrophobicContact CG1-CG2 4.01Å; V655-I741 HydrophobicContact CG2-CG2 4.47Å; V655-I769 HydrophobicContact CG2-CD1 4.09Å; V655-F795 HydrophobicContact CG2-CD1 3.84Å; V655-F795 HydrophobicContact CG2-CE1 3.84Å; V655-L798 HydrophobicContact CG2-CD1 4.19Å
656	L	98	Very high	95.4	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-35	175.6	-67.5	177.4	0	0	0	112.8	I641 F652 R653 V659 A660 I703 I706	I641-L656 HydrophobicContact CD1-CD2 4.24Å; F652-L656 HydrophobicContact CD1-CD1 3.89Å; F652-L656 HydrophobicContact CD1-CG 4.24Å; F652-L656 HydrophobicContact CE1-CD1 3.64Å; F652-L656 HydrophobicContact CE1-CD2 4.39Å; F652-L656 HydrophobicContact CE1-CG 4.05Å; F652-L656 HydrophobicContact CZ-CD1 4.48Å; F652-L656 HydrophobicContact CZ-CD2 4.46Å; F652-L656 WeakPolarHBondContact O-CG 3.35Å; F652-L656 PolarHBondContact O-N 3.47Å; R653-L656 PolarHBondContact O-N 2.72Å; L656-V659 PolarHBondContact O-N 3.29Å; L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 2.88Å; L656-I703 HydrophobicContact CB-CG2 4.43Å; L656-I703 HydrophobicContact CD2-CG2 4.29Å; L656-I703 WeakPolarHBondContact O-CG2 3.16Å; L656-I706 HydrophobicContact CD1-CB 4.06Å; L656-I706 HydrophobicContact CD2-CB 3.9Å; L656-I706 HydrophobicContact CD2-CD1 3.83Å; L656-I706 HydrophobicContact CD2-CG1 4.36Å; L656-I706 HydrophobicContact CD2-CG2 4.25Å
657	Q	97.2	Very high	95	Very high	97 Å²	97	39.7 Å²	39.7	45%	0.453	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-43	170.9	-75	177.6	11.1	0	0	111.5	R653 T654 V655 A660 N661	R653-Q657 WeakPolarHBondContact O-CG 3.34Å; R653-Q657 PolarHBondContact O-N 2.81Å; T654-Q657 PolarHBondContact O-N 2.97Å; V655-Q657 VanDerWaalsContact C-N 3.33Å; V655-Q657 PolarHBondContact O-N 3.36Å; Q657-A660 CarbonylContact O-C 3.56Å; Q657-A660 PolarHBondContact O-N 3.29Å; Q657-N661 WeakPolarHBondContact O-CB 3.42Å; Q657-N661 PolarHBondContact O-N 3.03Å; Q657-N661 PolarHBondContact O-OD1 3.34Å; Q657-N661 VanDerWaalsContact O-OD1 3.14Å
658	F	97.6	Very high	94.6	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-47.1	174.3	166.8	-93.8	0	0	0	112	T654 V655 A660 N661 V662 I741 I767 L798 V802 I805	T654-F658 PolarHBondContact O-N 2.6Å; V655-F658 WeakPolarHBondContact O-CB 3.29Å; V655-F658 PolarHBondContact O-N 2.94Å; F658-A660 VanDerWaalsContact C-N 3.3Å; F658-A660 PolarHBondContact O-N 3Å; F658-N661 WeakPolarHBondContact O-CB 3.3Å; F658-N661 PolarHBondContact O-N 3.47Å; F658-V662 HydrophobicContact CD2-CG2 4.37Å; F658-V662 HydrophobicContact CE1-CG2 3.92Å; F658-V662 HydrophobicContact CE2-CG2 3.78Å; F658-V662 HydrophobicContact CZ-CG2 3.5Å; F658-V662 VanDerWaalsContact CZ-CG2 3.5Å; F658-V662 PolarHBondContact O-N 3.31Å; F658-I741 HydrophobicContact CD1-CD1 3.81Å; F658-I741 HydrophobicContact CE1-CD1 3.86Å; F658-I767 HydrophobicContact CE1-CD1 3.51Å; F658-I767 HydrophobicContact CE2-CD1 4.48Å; F658-I767 HydrophobicContact CZ-CD1 3.36Å; F658-L798 HydrophobicContact CB-CB 3.99Å; F658-L798 HydrophobicContact CB-CD1 3.98Å; F658-L798 HydrophobicContact CB-CG 4.48Å; F658-L798 HydrophobicContact CD1-CD2 4.47Å; F658-L798 HydrophobicContact CD2-CB 3.79Å; F658-L798 HydrophobicContact CD2-CD2 4.21Å; F658-L798 WeakPolarHBondContact CD2-O 3.38Å; F658-L798 HydrophobicContact CG-CB 4.03Å; F658-L798 HydrophobicContact CG-CD1 4.3Å; F658-L798 HydrophobicContact CG-CD2 4.19Å; F658-L798 HydrophobicContact CG-CG 4.43Å; F658-V802 HydrophobicContact CD2-CG2 3.66Å; F658-V802 HydrophobicContact CE2-CG2 3.53Å; F658-I805 HydrophobicContact CE2-CD1 4.1Å; F658-I805 HydrophobicContact CZ-CD1 3.72Å
659	V	98.3	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-43.3	175	170.5	0	0	0	0	111	F639 I641 V655 L656 T663 I703 I741	F639-V659 HydrophobicContact CB-CG1 4.34Å; F639-V659 HydrophobicContact CB-CG2 4.49Å; F639-V659 HydrophobicContact CD1-CB 4.29Å; F639-V659 HydrophobicContact CD1-CG1 3.91Å; F639-V659 HydrophobicContact CD1-CG2 3.74Å; F639-V659 HydrophobicContact CD2-CG1 3.69Å; F639-V659 HydrophobicContact CE1-CB 4.33Å; F639-V659 HydrophobicContact CE1-CG1 4.05Å; F639-V659 HydrophobicContact CE1-CG2 4.14Å; F639-V659 HydrophobicContact CE2-CG1 3.85Å; F639-V659 HydrophobicContact CG-CG1 3.7Å; F639-V659 HydrophobicContact CG-CG2 4.15Å; F639-V659 HydrophobicContact CZ-CG1 4.02Å; I641-V659 HydrophobicContact CD1-CG2 4.09Å; I641-V659 HydrophobicContact CG1-CG2 4.42Å; V655-V659 WeakPolarHBondContact O-CG2 3.44Å; V655-V659 PolarHBondContact O-N 3.13Å; L656-V659 PolarHBondContact O-N 3.29Å; V659-T663 VanDerWaalsContact O-CB 3.31Å; V659-T663 WeakPolarHBondContact O-CB 3.36Å; V659-T663 PolarHBondContact O-N 3.5Å; V659-T663 PolarHBondContact O-OG1 3.29Å; V659-I703 HydrophobicContact CB-CG2 4.18Å; V659-I703 HydrophobicContact CG1-CD1 4.13Å; V659-I703 HydrophobicContact CG1-CG1 4.27Å; V659-I703 HydrophobicContact CG1-CG2 3.83Å; V659-I741 HydrophobicContact CG2-CD1 3.66Å
660	A	97.8	Very high	93.1	Very high	4 Å²	4	39 Å²	39	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-33.2	174.3	0	0	0	0	0	113	L656 Q657 F658 T663 R664 L700 I703	L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 2.88Å; Q657-A660 CarbonylContact O-C 3.56Å; Q657-A660 PolarHBondContact O-N 3.29Å; F658-A660 VanDerWaalsContact C-N 3.3Å; F658-A660 PolarHBondContact O-N 3Å; A660-T663 PolarHBondContact O-N 3.03Å; A660-R664 WeakPolarHBondContact O-CG 3.46Å; A660-R664 PolarHBondContact O-N 3.03Å; A660-R664 VanDerWaalsContact O-N 3.13Å; A660-R664 PolarHBondContact O-NH1 3.45Å; A660-L700 HydrophobicContact CB-CD2 3.81Å; A660-L700 VanDerWaalsContact O-CD2 3.3Å; A660-L700 WeakPolarHBondContact O-CD2 3.45Å; A660-I703 HydrophobicContact CB-CG2 4.15Å
661	N	96.8	Very high	91.9	Very high	48 Å²	48	41.7 Å²	41.7	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-49.4	176.9	-68.2	-7.5	0	0	0	110.5	Q657 F658 T663 R664 V802	Q657-N661 WeakPolarHBondContact O-CB 3.42Å; Q657-N661 PolarHBondContact O-N 3.03Å; Q657-N661 PolarHBondContact O-OD1 3.34Å; Q657-N661 VanDerWaalsContact O-OD1 3.14Å; F658-N661 WeakPolarHBondContact O-CB 3.3Å; F658-N661 PolarHBondContact O-N 3.47Å; N661-T663 VanDerWaalsContact C-N 3.25Å; N661-T663 PolarHBondContact O-N 3.36Å; N661-R664 PolarHBondContact O-N 2.87Å; N661-R664 VanDerWaalsContact O-N 3.15Å; N661-R664 PolarHBondContact OD1-NH1 2.98Å; N661-V802 HydrophobicContact CB-CG2 4.1Å
662	V	96.4	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-42.4	172	177.7	0	0	0	0	110.9	F639 F658 R664 E665 F666 I739 V802 I806	F639-V662 HydrophobicContact CE1-CB 4.22Å; F639-V662 HydrophobicContact CE1-CG1 4.14Å; F639-V662 HydrophobicContact CZ-CB 3.97Å; F639-V662 HydrophobicContact CZ-CG1 3.77Å; F658-V662 HydrophobicContact CD2-CG2 4.37Å; F658-V662 HydrophobicContact CE1-CG2 3.92Å; F658-V662 HydrophobicContact CE2-CG2 3.78Å; F658-V662 HydrophobicContact CZ-CG2 3.5Å; F658-V662 VanDerWaalsContact CZ-CG2 3.5Å; F658-V662 PolarHBondContact O-N 3.31Å; V662-R664 VanDerWaalsContact C-N 3.31Å; V662-R664 PolarHBondContact O-N 3.14Å; V662-E665 PolarHBondContact O-N 3.45Å; V662-F666 HydrophobicContact CG1-CE2 3.93Å; V662-F666 VanDerWaalsContact O-CD2 3.23Å; V662-F666 WeakPolarHBondContact O-CD2 3Å; V662-I739 HydrophobicContact CG1-CD1 4.11Å; V662-V802 HydrophobicContact CG2-CG1 4.16Å; V662-V802 HydrophobicContact CG2-CG2 3.96Å; V662-I806 HydrophobicContact CG1-CD1 4.17Å
663	T	95.8	Very high	90.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-27.9	-179.6	-60.7	0	0	0	0	113.8	V659 A660 N661 E665 I668 V675 L699 L700 I703	V659-T663 VanDerWaalsContact O-CB 3.31Å; V659-T663 WeakPolarHBondContact O-CB 3.36Å; V659-T663 PolarHBondContact O-N 3.5Å; V659-T663 PolarHBondContact O-OG1 3.29Å; A660-T663 PolarHBondContact O-N 3.03Å; N661-T663 VanDerWaalsContact C-N 3.25Å; N661-T663 PolarHBondContact O-N 3.36Å; T663-E665 VanDerWaalsContact C-N 3.27Å; T663-E665 PolarHBondContact O-N 2.94Å; T663-I668 HydrophobicContact CG2-CD1 4.48Å; T663-V675 HydrophobicContact CG2-CG2 4.38Å; T663-L699 HydrophobicContact CG2-CD2 3.49Å; T663-L699 VanDerWaalsContact CG2-CD2 3.49Å; T663-L699 HydrophobicContact CG2-CG 4.03Å; T663-L700 HydrophobicContact CG2-CD2 3.95Å; T663-L700 HydrophobicContact CG2-CG 4.46Å; T663-I703 HydrophobicContact CG2-CD1 3.98Å
664	R	93.4	Very high	90.6	Very high	95 Å²	95	36.4 Å²	36.4	36%	0.358	19%	0.185	S	C	.	.	H	α-helix	trans	-69.4	-24.1	178.8	-79	-178	-162.4	90.9	-29.5	113.4	A660 N661 V662 F666 K696 L700	A660-R664 WeakPolarHBondContact O-CG 3.46Å; A660-R664 PolarHBondContact O-N 3.03Å; A660-R664 VanDerWaalsContact O-N 3.13Å; A660-R664 PolarHBondContact O-NH1 3.45Å; N661-R664 PolarHBondContact O-N 2.87Å; N661-R664 VanDerWaalsContact O-N 3.15Å; N661-R664 PolarHBondContact OD1-NH1 2.98Å; V662-R664 VanDerWaalsContact C-N 3.31Å; V662-R664 PolarHBondContact O-N 3.14Å; R664-F666 VanDerWaalsContact C-N 3.31Å; R664-F666 PolarHBondContact O-N 3.17Å; R664-K696 WeakPolarHBondContact O-CE 3.14Å; R664-K696 PolarHBondContact O-NZ 2.95Å; R664-L700 HydrophobicContact CG-CD1 3.83Å; R664-L700 HydrophobicContact CG-CD2 4.01Å
665	E	90.4	Very high	90.7	Very high	99 Å²	99	34.9 Å²	34.9	46%	0.463	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.7	-175.9	-55.1	-66.3	127.7	0	0	113	V662 T663 V802 I806	V662-E665 PolarHBondContact O-N 3.45Å; T663-E665 VanDerWaalsContact C-N 3.27Å; T663-E665 PolarHBondContact O-N 2.94Å; E665-V802 HydrophobicContact CG-CG1 4.19Å; E665-I806 HydrophobicContact CB-CD1 3.63Å; E665-I806 HydrophobicContact CB-CG1 3.8Å; E665-I806 HydrophobicContact CB-CG2 4.49Å; E665-I806 HydrophobicContact CG-CD1 4.08Å; E665-I806 HydrophobicContact CG-CG1 3.86Å
666	F	89.8	Confident	90.7	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.175	C	C	.	.	S	Bend	trans	-106.4	151.5	178.3	-63.1	-83.4	0	0	0	111.9	C631 L632 I637 V662 R664 I668 T673 K696 I806 I809	C631-F666 WeakPolarHBondContact O-CE1 3.49Å; L632-F666 HydrophobicContact CD2-CD1 4.49Å; L632-F666 HydrophobicContact CD2-CE1 4.5Å; L632-F666 WeakPolarHBondContact O-CA 3.31Å; L632-F666 WeakPolarHBondContact O-CB 3.39Å; L632-F666 WeakPolarHBondContact O-CD1 3.05Å; I637-F666 HydrophobicContact CD1-CD1 3.8Å; I637-F666 HydrophobicContact CD1-CD2 3.66Å; I637-F666 HydrophobicContact CD1-CE1 3.68Å; I637-F666 HydrophobicContact CD1-CE2 3.5Å; I637-F666 HydrophobicContact CD1-CG 3.82Å; I637-F666 HydrophobicContact CD1-CZ 3.53Å; V662-F666 HydrophobicContact CG1-CE2 3.93Å; V662-F666 VanDerWaalsContact O-CD2 3.23Å; V662-F666 WeakPolarHBondContact O-CD2 3Å; R664-F666 VanDerWaalsContact C-N 3.31Å; R664-F666 PolarHBondContact O-N 3.17Å; F666-I668 HydrophobicContact CB-CD1 4.03Å; F666-T673 HydrophobicContact CB-CG2 3.84Å; F666-T673 HydrophobicContact CD1-CG2 4.19Å; F666-T673 HydrophobicContact CG-CG2 4.08Å; F666-K696 VanDerWaalsContact O-CE 3.3Å; F666-K696 WeakPolarHBondContact O-CE 3.05Å; F666-K696 PolarHBondContact O-NZ 3.32Å; F666-I806 HydrophobicContact CD2-CD1 4.19Å; F666-I806 HydrophobicContact CE2-CD1 3.26Å; F666-I806 HydrophobicContact CZ-CD1 3.47Å; F666-I806 VanDerWaalsContact CZ-CD1 3.47Å; F666-I809 HydrophobicContact CE1-CG2 4.01Å; F666-I809 HydrophobicContact CZ-CD1 3.87Å; F666-I809 HydrophobicContact CZ-CG2 4Å
667	E	84.4	Confident	90.7	Very high	103 Å²	103	34.6 Å²	34.6	48%	0.481	17%	0.174	S	C	.	.			trans	-92.2	126.8	173.1	-68.6	-46.4	131.6	0	0	111.9	L632 N633 D672 T673 K696	L632-E667 PolarHBondContact O-N 3.2Å; N633-E667 HydrophobicContact CB-CB 4.41Å; E667-D672 WeakPolarHBondContact O-CB 3.32Å; E667-T673 WeakPolarHBondContact O-CA 3.38Å; E667-T673 VanDerWaalsContact O-CB 3.24Å; E667-T673 WeakPolarHBondContact O-CB 3.45Å; E667-T673 PolarHBondContact O-N 3.32Å; E667-K696 VanDerWaalsContact CD-NZ 3.3Å; E667-K696 IonicContact OE1-NZ 2.79Å; E667-K696 PolarHBondContact OE1-NZ 3.08Å; E667-K696 IonicContact OE2-NZ 3.2Å; E667-K696 PolarHBondContact OE2-NZ 3.02Å
668	I	85.9	Confident	90.8	Very high	15 Å²	15	30 Å²	30	8%	0.077	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-112.4	115.2	-160.5	-53.2	-58.6	0	0	0	111.4	T663 F666 T673 V675 K696 L699	T663-I668 HydrophobicContact CG2-CD1 4.48Å; F666-I668 HydrophobicContact CB-CD1 4.03Å; I668-T673 WeakPolarHBondContact CA-O 3.4Å; I668-T673 HydrophobicContact CD1-CG2 4.11Å; I668-T673 WeakPolarHBondContact CD1-O 3.25Å; I668-V675 HydrophobicContact CD1-CG2 3.99Å; I668-K696 HydrophobicContact CB-CB 4.02Å; I668-K696 HydrophobicContact CB-CG 4.35Å; I668-K696 HydrophobicContact CG1-CB 4.15Å; I668-K696 HydrophobicContact CG1-CD 4.19Å; I668-K696 HydrophobicContact CG1-CG 3.92Å; I668-L699 HydrophobicContact CD1-CD2 4.08Å; I668-L699 HydrophobicContact CG1-CD2 4.06Å; I668-L699 HydrophobicContact CG2-CD2 3.71Å
669	S	79.7	Confident	90.8	Very high	25 Å²	25	29.9 Å²	29.9	18%	0.175	15%	0.152	C	C	.	.	S	Bend	trans	-162.7	173.7	170	94.5	0	0	0	0	109.9	T671 D672 R674	S669-T671 VanDerWaalsContact C-N 3.28Å; S669-T671 PolarHBondContact O-N 2.98Å; S669-T671 PolarHBondContact OG-N 3.07Å; S669-T671 PolarHBondContact OG-OG1 2.9Å; S669-D672 CarbonylContact O-C 3.48Å; S669-D672 PolarHBondContact O-N 3.25Å; S669-D672 WeakPolarHBondContact OG-CB 3.39Å; S669-D672 PolarHBondContact OG-N 2.72Å; S669-D672 PolarHBondContact OG-OD2 3.42Å; S669-R674 WeakPolarHBondContact O-CG 3.16Å
670	D	76.3	Confident	90.8	Very high	66 Å²	66	29.9 Å²	29.9	35%	0.353	15%	0.152	S	C	.	.	S	Bend	trans	-67.7	-27.9	173	-178.7	58.6	0	0	0	113	R674 N694 K731	D670-R674 WeakPolarHBondContact OD1-CD 3.4Å; D670-R674 IonicContact OD1-NH1 2.7Å; D670-N694 PolarHBondContact N-OD1 3.34Å; D670-K731 PolarHBondContact O-NZ 2.83Å; D670-K731 IonicContact OD1-NZ 2.76Å; D670-K731 PolarHBondContact OD1-NZ 2.04Å; D670-K731 IonicContact OD2-NZ 2.81Å; D670-K731 PolarHBondContact OD2-NZ 3.16Å
671	T	68.4	Low	90.7	Very high	107 Å²	107	30 Å²	30	66%	0.656	15%	0.152	S	C	*	.	S	Bend	trans	-80.9	-23.6	172.1	46.8	0	0	0	0	112.7	S669 K734	S669-T671 VanDerWaalsContact C-N 3.28Å; S669-T671 PolarHBondContact O-N 2.98Å; S669-T671 PolarHBondContact OG-N 3.07Å; S669-T671 PolarHBondContact OG-OG1 2.9Å; T671-K734 PolarHBondContact O-NZ 3.27Å
672	D	79.8	Confident	90.6	Very high	44 Å²	44	34.3 Å²	34.3	24%	0.235	17%	0.165	C	C	.	.	S	Bend	trans	-109.2	-151.5	-171.5	-61.3	-75.8	0	0	0	111.4	N633 E667 S669 R674 K734	N633-D672 HydrophobicContact CB-CB 3.98Å; N633-D672 WeakPolarHBondContact CB-OD1 3.4Å; N633-D672 PolarHBondContact ND2-OD1 3.43Å; N633-D672 CarbonylContact O-C 3.45Å; N633-D672 WeakPolarHBondContact O-CA 3.42Å; E667-D672 WeakPolarHBondContact O-CB 3.32Å; S669-D672 CarbonylContact O-C 3.48Å; S669-D672 PolarHBondContact O-N 3.25Å; S669-D672 WeakPolarHBondContact OG-CB 3.39Å; S669-D672 PolarHBondContact OG-N 2.72Å; S669-D672 PolarHBondContact OG-OD2 3.42Å; D672-R674 PolarHBondContact O-N 2.88Å; D672-K734 WeakPolarHBondContact O-CE 3.11Å; D672-K734 PolarHBondContact O-NZ 3.36Å
673	T	89.1	Confident	90.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-69.5	128	-176	-69.5	0	0	0	0	110.1	L632 N633 N635 I637 F666 E667 I668	L632-T673 PolarHBondContact O-OG1 3.02Å; N633-T673 VanDerWaalsContact C-OG1 3.29Å; N633-T673 VanDerWaalsContact CA-OG1 3.25Å; N633-T673 WeakPolarHBondContact CA-OG1 3.42Å; N633-T673 PolarHBondContact O-N 3.17Å; N633-T673 VanDerWaalsContact O-N 3.11Å; N635-T673 HydrophobicContact CB-CG2 4.07Å; N635-T673 PolarHBondContact N-OG1 2.87Å; N635-T673 PolarHBondContact ND2-OG1 3.29Å; N635-T673 VanDerWaalsContact O-CA 3.3Å; N635-T673 WeakPolarHBondContact O-CA 3.41Å; I637-T673 HydrophobicContact CD1-CG2 3.69Å; I637-T673 HydrophobicContact CG1-CG2 3.95Å; F666-T673 HydrophobicContact CB-CG2 3.84Å; F666-T673 HydrophobicContact CD1-CG2 4.19Å; F666-T673 HydrophobicContact CG-CG2 4.08Å; E667-T673 WeakPolarHBondContact O-CA 3.38Å; E667-T673 VanDerWaalsContact O-CB 3.24Å; E667-T673 WeakPolarHBondContact O-CB 3.45Å; E667-T673 PolarHBondContact O-N 3.32Å; I668-T673 WeakPolarHBondContact CA-O 3.4Å; I668-T673 HydrophobicContact CD1-CG2 4.11Å; I668-T673 WeakPolarHBondContact CD1-O 3.25Å
674	R	93.9	Very high	90.5	Very high	14 Å²	14	42.7 Å²	42.7	5%	0.053	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.4	177.3	-54.4	-177	-54.9	154.1	10.3	109.6	N635 D636 I637 S669 D670 D672 F690 K729	N635-R674 PolarHBondContact O-N 2.92Å; D636-R674 CarbonylContact C-O 3.59Å; D636-R674 WeakPolarHBondContact CA-O 3.32Å; D636-R674 VanDerWaalsContact CG-NH2 3.29Å; D636-R674 WeakPolarHBondContact OD1-CB 3.33Å; D636-R674 IonicContact OD1-CZ 3.07Å; D636-R674 IonicContact OD1-NE 3.15Å; D636-R674 PolarHBondContact OD1-NE 3.18Å; D636-R674 IonicContact OD1-NH2 2.94Å; D636-R674 PolarHBondContact OD1-NH2 2.87Å; D636-R674 IonicContact OD2-CZ 3.28Å; D636-R674 IonicContact OD2-NH2 2.7Å; D636-R674 PolarHBondContact OD2-NH2 2.86Å; I637-R674 PolarHBondContact N-O 2.8Å; S669-R674 WeakPolarHBondContact O-CG 3.16Å; D670-R674 WeakPolarHBondContact OD1-CD 3.4Å; D670-R674 IonicContact OD1-NH1 2.7Å; D672-R674 PolarHBondContact O-N 2.88Å; R674-F690 HydrophobicContact CB-CB 4.32Å; R674-K729 PolarHBondContact NH2-O 3.07Å
675	V	97.3	Very high	90.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.5	-179.4	-177.6	0	0	0	0	110.1	I637 F639 T663 I668 F688 L699	I637-V675 HydrophobicContact CB-CG2 4.48Å; I637-V675 VanDerWaalsContact O-CA 3.31Å; I637-V675 WeakPolarHBondContact O-CA 3.3Å; F639-V675 HydrophobicContact CD2-CG1 3.64Å; F639-V675 HydrophobicContact CE2-CG1 3.62Å; T663-V675 HydrophobicContact CG2-CG2 4.38Å; I668-V675 HydrophobicContact CD1-CG2 3.99Å; V675-F688 HydrophobicContact CG1-CE2 4.18Å; V675-L699 HydrophobicContact CB-CD1 4.07Å; V675-L699 HydrophobicContact CB-CD2 3.69Å; V675-L699 HydrophobicContact CG1-CD1 4.31Å; V675-L699 HydrophobicContact CG1-CD2 4.43Å; V675-L699 HydrophobicContact CG2-CD2 3.72Å
676	G	97.9	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.2	171.8	0	0	0	0	0	110	I637 A638 F639 F688	I637-G676 PolarHBondContact O-N 2.84Å; A638-G676 WeakPolarHBondContact CA-O 3.38Å; F639-G676 PolarHBondContact N-O 2.7Å; G676-F688 WeakPolarHBondContact CA-O 3.43Å
677	A	98.5	Very high	91.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.8	-179.3	0	0	0	0	0	111.6	F639 I641 E687 F688 I706	F639-A677 WeakPolarHBondContact O-CA 3.13Å; I641-A677 HydrophobicContact CD1-CB 4.47Å; A677-E687 HydrophobicContact CB-CB 4.19Å; A677-E687 PolarHBondContact O-N 3.3Å; A677-F688 HydrophobicContact CB-CD1 4.12Å; A677-F688 HydrophobicContact CB-CD2 4.34Å; A677-F688 HydrophobicContact CB-CE1 3.65Å; A677-F688 HydrophobicContact CB-CE2 3.88Å; A677-F688 HydrophobicContact CB-CG 4.44Å; A677-F688 HydrophobicContact CB-CZ 3.5Å; A677-F688 PolarHBondContact N-O 2.89Å; A677-F688 PolarHBondContact O-N 3.41Å; A677-I706 HydrophobicContact CB-CD1 4.17Å
678	V	98.6	Very high	92.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	167.7	170	0	0	0	0	107.5	F639 V640 I641 R685 L686 F721 A722 L726	F639-V678 PolarHBondContact O-N 2.66Å; V640-V678 WeakPolarHBondContact CA-O 3.47Å; I641-V678 PolarHBondContact N-O 3.32Å; V678-R685 CarbonylContact C-O 2.95Å; V678-R685 VanDerWaalsContact CA-O 3.27Å; V678-R685 WeakPolarHBondContact CA-O 3.38Å; V678-L686 HydrophobicContact CG2-CD1 4.14Å; V678-F721 HydrophobicContact CG1-CD1 3.75Å; V678-F721 HydrophobicContact CG1-CE1 4.14Å; V678-F721 HydrophobicContact CG2-CD1 3.9Å; V678-F721 HydrophobicContact CG2-CE1 4.06Å; V678-A722 HydrophobicContact CG2-CB 4.36Å; V678-L726 HydrophobicContact CG2-CD1 3.96Å
679	Q	98.1	Very high	92.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.3	164	-178.4	174.1	-167	0	0	108.7	I641 F652 R685 E687 N707	I641-Q679 CarbonylContact O-C 3.6Å; I641-Q679 WeakPolarHBondContact O-CA 3.43Å; F652-Q679 HydrophobicContact CZ-CG 4.42Å; F652-Q679 VanDerWaalsContact CZ-OE1 3.25Å; Q679-R685 PolarHBondContact N-O 3.03Å; Q679-R685 PolarHBondContact O-N 3.49Å; Q679-E687 HydrophobicContact CB-CG 4.08Å; Q679-E687 WeakPolarHBondContact CB-OE1 3.26Å; Q679-E687 PolarHBondContact NE2-OE1 3.33Å; Q679-N707 PolarHBondContact NE2-O 2.76Å; Q679-N707 PolarHBondContact OE1-O 2.95Å
680	Y	98	Very high	93.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.9	175.4	73.6	-81	0	0	0	113.1	V640 I641 D642 G643 E683 T713 T715 A718 I741	V640-Y680 HydrophobicContact CG1-CD1 3.8Å; V640-Y680 HydrophobicContact CG1-CE1 3.9Å; I641-Y680 VanDerWaalsContact C-CD1 3.49Å; I641-Y680 VanDerWaalsContact C-CE1 3.49Å; I641-Y680 VanDerWaalsContact O-CD1 3.22Å; I641-Y680 WeakPolarHBondContact O-CD1 3.27Å; I641-Y680 PolarHBondContact O-N 3.49Å; D642-Y680 HydrophobicContact CB-CE1 3.91Å; D642-Y680 VanDerWaalsContact N-CE1 3.3Å; G643-Y680 PolarHBondContact N-O 3.35Å; Y680-E683 CarbonylContact C-O 3.57Å; Y680-E683 WeakPolarHBondContact CA-O 3.43Å; Y680-T713 HydrophobicContact CE2-CG2 3.91Å; Y680-T715 HydrophobicContact CE2-CG2 4.45Å; Y680-T715 WeakPolarHBondContact CE2-OG1 3.35Å; Y680-T715 PolarHBondContact OH-OG1 3.01Å; Y680-A718 HydrophobicContact CD1-CB 3.57Å; Y680-A718 HydrophobicContact CD2-CB 3.65Å; Y680-A718 HydrophobicContact CE1-CB 4.11Å; Y680-A718 HydrophobicContact CE2-CB 4.17Å; Y680-A718 HydrophobicContact CG-CB 3.3Å; Y680-I741 PolarHBondContact OH-O 2.61Å
681	T	96.5	Very high	94	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-134.1	-119.8	167.3	67.3	0	0	0	0	108.1	G643 E683 W709 G712 S714	G643-T681 WeakPolarHBondContact O-CG2 3.47Å; T681-E683 VanDerWaalsContact C-N 3.31Å; T681-E683 PolarHBondContact N-O 3.03Å; T681-W709 HydrophobicContact CG2-CB 3.95Å; T681-W709 HydrophobicContact CG2-CD2 4.11Å; T681-W709 HydrophobicContact CG2-CE3 3.95Å; T681-W709 HydrophobicContact CG2-CG 4.13Å; T681-G712 CarbonylContact C-O 3.39Å; T681-G712 WeakPolarHBondContact CA-O 3.3Å; T681-G712 WeakPolarHBondContact CB-O 3.31Å; T681-S714 WeakPolarHBondContact O-CB 3.47Å; T681-S714 PolarHBondContact O-N 3.45Å
682	Y	93.8	Very high	95.2	Very high	139 Å²	139	35.8 Å²	35.8	55%	0.545	17%	0.17	S	C	.	.	S	Bend	trans	-65.5	-39.1	158.4	-63.6	-63.5	0	0	0	111.2	Q684 G712 S714	Y682-Q684 PolarHBondContact O-NE2 3.44Å; Y682-G712 VanDerWaalsContact CD2-N 3.32Å; Y682-G712 VanDerWaalsContact CZ-N 3.31Å; Y682-G712 PolarHBondContact N-O 2.94Å; Y682-S714 PolarHBondContact O-OG 3.28Å
683	E	94.3	Very high	95.8	Very high	127 Å²	127	36.9 Å²	36.9	59%	0.593	17%	0.171	S	C	*	.	S	Bend	trans	-103.2	170.3	180	-65.8	-177.7	170.8	0	0	111.2	Y680 T681 W709	Y680-E683 CarbonylContact C-O 3.57Å; Y680-E683 WeakPolarHBondContact CA-O 3.43Å; T681-E683 VanDerWaalsContact C-N 3.31Å; T681-E683 PolarHBondContact N-O 3.03Å; E683-W709 HydrophobicContact CB-CH2 3.5Å; E683-W709 VanDerWaalsContact CB-CH2 3.5Å; E683-W709 HydrophobicContact CB-CZ2 4.04Å; E683-W709 HydrophobicContact CB-CZ3 4.26Å
684	Q	97.3	Very high	95.6	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.234	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133	-175	-61.9	70.6	50.1	0	0	110.6	Y682 A717 A718 F721	Y682-Q684 PolarHBondContact O-NE2 3.44Å; Q684-A717 HydrophobicContact CG-CB 4.47Å; Q684-A718 HydrophobicContact CG-CB 4.25Å; Q684-F721 HydrophobicContact CB-CB 3.87Å; Q684-F721 HydrophobicContact CB-CD1 3.78Å; Q684-F721 HydrophobicContact CB-CD2 3.78Å; Q684-F721 HydrophobicContact CB-CE1 4.19Å; Q684-F721 HydrophobicContact CB-CE2 4.19Å; Q684-F721 HydrophobicContact CB-CG 3.55Å; Q684-F721 HydrophobicContact CB-CZ 4.37Å; Q684-F721 HydrophobicContact CG-CB 3.95Å; Q684-F721 HydrophobicContact CG-CG 4.21Å
685	R	96.9	Very high	95.2	Very high	121 Å²	121	43.2 Å²	43.2	46%	0.457	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.3	-176	171.9	174.3	155.3	137.1	3.1	110.5	V678 Q679 E687 W709	V678-R685 CarbonylContact C-O 2.95Å; V678-R685 VanDerWaalsContact CA-O 3.27Å; V678-R685 WeakPolarHBondContact CA-O 3.38Å; Q679-R685 PolarHBondContact N-O 3.03Å; Q679-R685 PolarHBondContact O-N 3.49Å; R685-E687 WeakPolarHBondContact CD-OE1 3.35Å; R685-E687 IonicContact CZ-OE1 2.82Å; R685-E687 IonicContact CZ-OE2 2.92Å; R685-E687 VanDerWaalsContact CZ-OE2 3.28Å; R685-E687 IonicContact NE-OE1 2.76Å; R685-E687 PolarHBondContact NE-OE1 3Å; R685-E687 IonicContact NE-OE2 2.79Å; R685-E687 PolarHBondContact NE-OE2 3.15Å; R685-E687 IonicContact NH2-OE1 3.28Å; R685-E687 IonicContact NH2-OE2 3.15Å; R685-E687 PolarHBondContact NH2-OE2 2.78Å; R685-W709 HydrophobicContact CB-CE3 4.23Å; R685-W709 HydrophobicContact CB-CH2 4.09Å; R685-W709 HydrophobicContact CB-CZ3 3.57Å
686	L	97.9	Very high	94.8	Very high	58 Å²	58	45.5 Å²	45.5	30%	0.304	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.5	168	-177.9	68	0	0	0	108.7	V678 F688 A689 F721 L726	V678-L686 HydrophobicContact CG2-CD1 4.14Å; L686-F688 WeakPolarHBondContact CD1-O 2.99Å; L686-A689 HydrophobicContact CD2-CB 4.44Å; L686-F721 HydrophobicContact CB-CE1 4.09Å; L686-F721 HydrophobicContact CB-CZ 4.35Å; L686-L726 HydrophobicContact CD1-CD2 3.78Å; L686-L726 HydrophobicContact CD1-CG 4.1Å
687	E	98.1	Very high	94.6	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.131	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-41.8	174.3	-59.3	-62.4	168	0	0	111	A677 Q679 R685 I706	A677-E687 HydrophobicContact CB-CB 4.19Å; A677-E687 PolarHBondContact O-N 3.3Å; Q679-E687 HydrophobicContact CB-CG 4.08Å; Q679-E687 WeakPolarHBondContact CB-OE1 3.26Å; Q679-E687 PolarHBondContact NE2-OE1 3.33Å; R685-E687 WeakPolarHBondContact CD-OE1 3.35Å; R685-E687 IonicContact CZ-OE1 2.82Å; R685-E687 IonicContact CZ-OE2 2.92Å; R685-E687 VanDerWaalsContact CZ-OE2 3.28Å; R685-E687 IonicContact NE-OE1 2.76Å; R685-E687 PolarHBondContact NE-OE1 3Å; R685-E687 IonicContact NE-OE2 2.79Å; R685-E687 PolarHBondContact NE-OE2 3.15Å; R685-E687 IonicContact NH2-OE1 3.28Å; R685-E687 IonicContact NH2-OE2 3.15Å; R685-E687 PolarHBondContact NH2-OE2 2.78Å; E687-I706 HydrophobicContact CB-CD1 4.14Å; E687-I706 HydrophobicContact CB-CG1 4.14Å; E687-I706 HydrophobicContact CG-CD1 4.05Å; E687-I706 HydrophobicContact CG-CG1 4.02Å; E687-I706 HydrophobicContact CG-CG2 4Å
688	F	97.6	Very high	94.4	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.7	169.5	51.8	-96.4	0	0	0	113.2	V675 G676 A677 L686 Q692 Y693 L699 A702 I703 I706	V675-F688 HydrophobicContact CG1-CE2 4.18Å; G676-F688 WeakPolarHBondContact CA-O 3.43Å; A677-F688 HydrophobicContact CB-CD1 4.12Å; A677-F688 HydrophobicContact CB-CD2 4.34Å; A677-F688 HydrophobicContact CB-CE1 3.65Å; A677-F688 HydrophobicContact CB-CE2 3.88Å; A677-F688 HydrophobicContact CB-CG 4.44Å; A677-F688 HydrophobicContact CB-CZ 3.5Å; A677-F688 PolarHBondContact N-O 2.89Å; A677-F688 PolarHBondContact O-N 3.41Å; L686-F688 WeakPolarHBondContact CD1-O 2.99Å; F688-Q692 VanDerWaalsContact CA-OE1 3.22Å; F688-Q692 HydrophobicContact CB-CB 4.36Å; F688-Q692 VanDerWaalsContact CB-CD 3.45Å; F688-Q692 HydrophobicContact CB-CG 4.3Å; F688-Y693 HydrophobicContact CB-CD2 4.07Å; F688-Y693 HydrophobicContact CB-CE2 3.69Å; F688-Y693 HydrophobicContact CD1-CD2 4.33Å; F688-Y693 HydrophobicContact CD1-CE2 4.01Å; F688-Y693 HydrophobicContact CD2-CD2 4.12Å; F688-Y693 HydrophobicContact CD2-CE2 4.47Å; F688-Y693 AromaticContact CG-CD2 3.93Å; F688-Y693 HydrophobicContact CG-CD2 3.93Å; F688-Y693 AromaticContact CG-CE2 3.83Å; F688-Y693 HydrophobicContact CG-CE2 3.83Å; F688-L699 HydrophobicContact CD2-CD1 4.27Å; F688-L699 HydrophobicContact CE2-CD1 3.45Å; F688-L699 VanDerWaalsContact CE2-CD1 3.45Å; F688-L699 HydrophobicContact CZ-CD1 3.65Å; F688-A702 HydrophobicContact CD1-CB 4.31Å; F688-A702 HydrophobicContact CE1-CB 4.19Å; F688-I703 HydrophobicContact CE1-CG1 4.17Å; F688-I703 HydrophobicContact CZ-CG1 3.75Å; F688-I706 HydrophobicContact CE1-CD1 4.14Å
689	A	96.9	Very high	94.4	Very high	23 Å²	23	53.2 Å²	53.2	19%	0.19	26%	0.261	C	S	.	.			trans	-87.8	160.6	-179.5	0	0	0	0	0	113.5	L686 G691 Q692 L726	L686-A689 HydrophobicContact CD2-CB 4.44Å; A689-G691 PolarHBondContact O-N 3.48Å; A689-Q692 WeakPolarHBondContact O-CB 3.28Å; A689-Q692 PolarHBondContact O-N 3.01Å; A689-Q692 VanDerWaalsContact O-N 3.1Å; A689-L726 HydrophobicContact CB-CD2 4.46Å
690	F	95.4	Very high	94.3	Very high	18 Å²	18	54.2 Å²	54.2	8%	0.079	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.1	168.3	-64.5	-38.9	0	0	0	111.2	D636 A638 R674 Q692 L726 F727	D636-F690 HydrophobicContact CB-CD1 4.48Å; D636-F690 HydrophobicContact CB-CD2 4.28Å; D636-F690 HydrophobicContact CB-CE1 4.17Å; D636-F690 HydrophobicContact CB-CE2 3.92Å; D636-F690 HydrophobicContact CB-CZ 3.86Å; A638-F690 HydrophobicContact CB-CE1 4.26Å; A638-F690 HydrophobicContact CB-CZ 4.03Å; R674-F690 HydrophobicContact CB-CB 4.32Å; F690-Q692 VanDerWaalsContact C-N 3.33Å; F690-L726 HydrophobicContact CD1-CD2 4.41Å; F690-L726 HydrophobicContact CD2-CB 4.15Å; F690-L726 HydrophobicContact CD2-CD2 4.46Å; F690-L726 VanDerWaalsContact CD2-O 3.31Å; F690-L726 WeakPolarHBondContact CD2-O 3.35Å; F690-L726 HydrophobicContact CE1-CB 4.48Å; F690-L726 VanDerWaalsContact CE2-C 3.48Å; F690-L726 HydrophobicContact CE2-CB 3.66Å; F690-L726 VanDerWaalsContact CE2-O 3.29Å; F690-L726 WeakPolarHBondContact CE2-O 3.4Å; F690-L726 HydrophobicContact CG-CD2 4.35Å; F690-L726 HydrophobicContact CZ-CB 3.84Å; F690-F727 AromaticContact CE2-CD1 3.98Å; F690-F727 HydrophobicContact CE2-CD1 3.98Å; F690-F727 HydrophobicContact CE2-CE1 4.21Å; F690-F727 HydrophobicContact CZ-CD1 4.02Å; F690-F727 AromaticContact CZ-CE1 3.77Å; F690-F727 HydrophobicContact CZ-CE1 3.77Å; F690-F727 HydrophobicContact CZ-CZ 4.34Å
691	G	89	Confident	94.3	Very high	21 Å²	21	57.5 Å²	57.5	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	5	179.7	0	0	0	0	0	115.1	A689 N694	A689-G691 PolarHBondContact O-N 3.48Å; G691-N694 VanDerWaalsContact CA-OD1 3.31Å; G691-N694 WeakPolarHBondContact CA-OD1 3.4Å; G691-N694 PolarHBondContact O-ND2 2.63Å; G691-N694 PolarHBondContact O-OD1 3.2Å
692	Q	94.1	Very high	94.4	Very high	95 Å²	95	57.6 Å²	57.6	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-73.8	-33.6	173.4	-177.2	174.8	-30	0	0	112.4	F688 A689 F690	F688-Q692 VanDerWaalsContact CA-OE1 3.22Å; F688-Q692 HydrophobicContact CB-CB 4.36Å; F688-Q692 VanDerWaalsContact CB-CD 3.45Å; F688-Q692 HydrophobicContact CB-CG 4.3Å; A689-Q692 WeakPolarHBondContact O-CB 3.28Å; A689-Q692 PolarHBondContact O-N 3.01Å; A689-Q692 VanDerWaalsContact O-N 3.1Å; F690-Q692 VanDerWaalsContact C-N 3.33Å
693	Y	93.6	Very high	94.6	Very high	66 Å²	66	51 Å²	51	26%	0.259	26%	0.26	S	S	.	.			trans	-122.6	107	172.8	-61.2	-67.3	0	0	0	109	F688 E698 L699 A702	F688-Y693 HydrophobicContact CB-CD2 4.07Å; F688-Y693 HydrophobicContact CB-CE2 3.69Å; F688-Y693 HydrophobicContact CD1-CD2 4.33Å; F688-Y693 HydrophobicContact CD1-CE2 4.01Å; F688-Y693 HydrophobicContact CD2-CD2 4.12Å; F688-Y693 HydrophobicContact CD2-CE2 4.47Å; F688-Y693 AromaticContact CG-CD2 3.93Å; F688-Y693 HydrophobicContact CG-CD2 3.93Å; F688-Y693 AromaticContact CG-CE2 3.83Å; F688-Y693 HydrophobicContact CG-CE2 3.83Å; Y693-E698 HydrophobicContact CD1-CB 4.22Å; Y693-L699 HydrophobicContact CD2-CD1 4.4Å; Y693-A702 HydrophobicContact CD2-CB 3.65Å; Y693-A702 HydrophobicContact CE1-CB 4.28Å; Y693-A702 HydrophobicContact CE2-CB 3.34Å; Y693-A702 HydrophobicContact CG-CB 4.25Å
694	N	83.8	Confident	94.7	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	25%	0.25	S	C	.	.			trans	-102.6	14	-177.1	-60.2	-53.6	0	0	0	112.6	D670 G691	D670-N694 PolarHBondContact N-OD1 3.34Å; G691-N694 VanDerWaalsContact CA-OD1 3.31Å; G691-N694 WeakPolarHBondContact CA-OD1 3.4Å; G691-N694 PolarHBondContact O-ND2 2.63Å; G691-N694 PolarHBondContact O-OD1 3.2Å
695	N	86.4	Confident	94.7	Very high	77 Å²	77	54.8 Å²	54.8	41%	0.412	27%	0.269	S	S	.	.	S	Bend	trans	-125.2	131.6	174.4	179.1	-64.1	0	0	0	109.1	A697 E698 L699	N695-A697 VanDerWaalsContact C-N 3.33Å; N695-A697 PolarHBondContact O-N 3.38Å; N695-A697 WeakPolarHBondContact OD1-CB 3.5Å; N695-A697 PolarHBondContact OD1-N 3.49Å; N695-E698 HydrophobicContact CB-CB 4.1Å; N695-E698 HydrophobicContact CB-CG 3.87Å; N695-E698 PolarHBondContact O-N 3.12Å; N695-E698 PolarHBondContact OD1-N 3.31Å; N695-L699 WeakPolarHBondContact O-CB 3.26Å; N695-L699 PolarHBondContact O-N 3.02Å
696	K	88.3	Confident	94.7	Very high	50 Å²	50	49.2 Å²	49.2	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-39.9	-176.6	-165.8	159.2	172.6	162.8	0	112.8	R664 F666 E667 I668 L700	R664-K696 WeakPolarHBondContact O-CE 3.14Å; R664-K696 PolarHBondContact O-NZ 2.95Å; F666-K696 VanDerWaalsContact O-CE 3.3Å; F666-K696 WeakPolarHBondContact O-CE 3.05Å; F666-K696 PolarHBondContact O-NZ 3.32Å; E667-K696 VanDerWaalsContact CD-NZ 3.3Å; E667-K696 IonicContact OE1-NZ 2.79Å; E667-K696 PolarHBondContact OE1-NZ 3.08Å; E667-K696 IonicContact OE2-NZ 3.2Å; E667-K696 PolarHBondContact OE2-NZ 3.02Å; I668-K696 HydrophobicContact CB-CB 4.02Å; I668-K696 HydrophobicContact CB-CG 4.35Å; I668-K696 HydrophobicContact CG1-CB 4.15Å; I668-K696 HydrophobicContact CG1-CD 4.19Å; I668-K696 HydrophobicContact CG1-CG 3.92Å; K696-L700 HydrophobicContact CG-CD1 4.37Å; K696-L700 WeakPolarHBondContact O-CB 3.48Å; K696-L700 WeakPolarHBondContact O-CD1 3.11Å; K696-L700 WeakPolarHBondContact O-CG 3.36Å; K696-L700 PolarHBondContact O-N 3.46Å; K696-L700 VanDerWaalsContact O-N 3.13Å
697	A	93.4	Very high	94.6	Very high	57 Å²	57	51.6 Å²	51.6	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-73.7	-40.6	178.8	0	0	0	0	0	112.7	N695 L700 N701	N695-A697 VanDerWaalsContact C-N 3.33Å; N695-A697 PolarHBondContact O-N 3.38Å; N695-A697 WeakPolarHBondContact OD1-CB 3.5Å; N695-A697 PolarHBondContact OD1-N 3.49Å; A697-L700 PolarHBondContact O-N 3.06Å; A697-N701 WeakPolarHBondContact O-CB 3.49Å; A697-N701 PolarHBondContact O-N 2.93Å; A697-N701 PolarHBondContact O-ND2 3.22Å
698	E	95.3	Very high	94.6	Very high	107 Å²	107	52.7 Å²	52.7	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-46.1	175.5	-66.1	-178.5	163.6	0	0	111.7	Y693 N695 N701 A702	Y693-E698 HydrophobicContact CD1-CB 4.22Å; N695-E698 HydrophobicContact CB-CB 4.1Å; N695-E698 HydrophobicContact CB-CG 3.87Å; N695-E698 PolarHBondContact O-N 3.12Å; N695-E698 PolarHBondContact OD1-N 3.31Å; E698-N701 CarbonylContact O-C 3.58Å; E698-N701 PolarHBondContact O-N 2.99Å; E698-A702 PolarHBondContact O-N 2.87Å
699	L	97	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-47.6	177	173.6	63.1	0	0	0	111.8	T663 I668 V675 F688 Y693 N695 N701 A702 I703	T663-L699 HydrophobicContact CG2-CD2 3.49Å; T663-L699 VanDerWaalsContact CG2-CD2 3.49Å; T663-L699 HydrophobicContact CG2-CG 4.03Å; I668-L699 HydrophobicContact CD1-CD2 4.08Å; I668-L699 HydrophobicContact CG1-CD2 4.06Å; I668-L699 HydrophobicContact CG2-CD2 3.71Å; V675-L699 HydrophobicContact CB-CD1 4.07Å; V675-L699 HydrophobicContact CB-CD2 3.69Å; V675-L699 HydrophobicContact CG1-CD1 4.31Å; V675-L699 HydrophobicContact CG1-CD2 4.43Å; V675-L699 HydrophobicContact CG2-CD2 3.72Å; F688-L699 HydrophobicContact CD2-CD1 4.27Å; F688-L699 HydrophobicContact CE2-CD1 3.45Å; F688-L699 VanDerWaalsContact CE2-CD1 3.45Å; F688-L699 HydrophobicContact CZ-CD1 3.65Å; Y693-L699 HydrophobicContact CD2-CD1 4.4Å; N695-L699 WeakPolarHBondContact O-CB 3.26Å; N695-L699 PolarHBondContact O-N 3.02Å; L699-N701 PolarHBondContact O-N 3.34Å; L699-A702 WeakPolarHBondContact O-CB 3.44Å; L699-A702 PolarHBondContact O-N 2.87Å; L699-I703 HydrophobicContact CD1-CD1 4.16Å; L699-I703 HydrophobicContact CD1-CG1 4.39Å; L699-I703 HydrophobicContact CG-CD1 4.06Å; L699-I703 WeakPolarHBondContact O-CG1 3.48Å; L699-I703 PolarHBondContact O-N 3.04Å
700	L	97.8	Very high	93.9	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-33.2	176.5	-70.8	167.6	0	0	0	111.9	A660 T663 R664 K696 A697 K704	A660-L700 HydrophobicContact CB-CD2 3.81Å; A660-L700 VanDerWaalsContact O-CD2 3.3Å; A660-L700 WeakPolarHBondContact O-CD2 3.45Å; T663-L700 HydrophobicContact CG2-CD2 3.95Å; T663-L700 HydrophobicContact CG2-CG 4.46Å; R664-L700 HydrophobicContact CG-CD1 3.83Å; R664-L700 HydrophobicContact CG-CD2 4.01Å; K696-L700 HydrophobicContact CG-CD1 4.37Å; K696-L700 WeakPolarHBondContact O-CB 3.48Å; K696-L700 WeakPolarHBondContact O-CD1 3.11Å; K696-L700 WeakPolarHBondContact O-CG 3.36Å; K696-L700 PolarHBondContact O-N 3.46Å; K696-L700 VanDerWaalsContact O-N 3.13Å; A697-L700 PolarHBondContact O-N 3.06Å; L700-K704 VanDerWaalsContact O-CG 3.29Å; L700-K704 WeakPolarHBondContact O-CG 3.49Å; L700-K704 PolarHBondContact O-N 3.06Å
701	N	97.5	Very high	93.9	Very high	69 Å²	69	58.4 Å²	58.4	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-79.3	-24.4	174	-70.3	-23	0	0	0	113.2	A697 E698 L699 K704 R705	A697-N701 WeakPolarHBondContact O-CB 3.49Å; A697-N701 PolarHBondContact O-N 2.93Å; A697-N701 PolarHBondContact O-ND2 3.22Å; E698-N701 CarbonylContact O-C 3.58Å; E698-N701 PolarHBondContact O-N 2.99Å; L699-N701 PolarHBondContact O-N 3.34Å; N701-K704 PolarHBondContact OD1-NZ 2.78Å; N701-R705 WeakPolarHBondContact O-CG 3.48Å; N701-R705 PolarHBondContact O-NE 3.16Å
702	A	97.9	Very high	94.1	Very high	8 Å²	8	57.5 Å²	57.5	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-48.1	168.7	0	0	0	0	0	111.2	F688 Y693 E698 L699 K704 R705 I706	F688-A702 HydrophobicContact CD1-CB 4.31Å; F688-A702 HydrophobicContact CE1-CB 4.19Å; Y693-A702 HydrophobicContact CD2-CB 3.65Å; Y693-A702 HydrophobicContact CE1-CB 4.28Å; Y693-A702 HydrophobicContact CE2-CB 3.34Å; Y693-A702 HydrophobicContact CG-CB 4.25Å; E698-A702 PolarHBondContact O-N 2.87Å; L699-A702 WeakPolarHBondContact O-CB 3.44Å; L699-A702 PolarHBondContact O-N 2.87Å; A702-K704 VanDerWaalsContact C-N 3.35Å; A702-K704 PolarHBondContact O-N 2.89Å; A702-R705 PolarHBondContact O-N 2.82Å; A702-I706 PolarHBondContact O-N 3.09Å
703	I	98.3	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.9	-48.8	176.3	-67.5	160.5	0	0	0	111.1	L656 V659 A660 T663 F688 L699 R705 I706	L656-I703 HydrophobicContact CB-CG2 4.43Å; L656-I703 HydrophobicContact CD2-CG2 4.29Å; L656-I703 WeakPolarHBondContact O-CG2 3.16Å; V659-I703 HydrophobicContact CB-CG2 4.18Å; V659-I703 HydrophobicContact CG1-CD1 4.13Å; V659-I703 HydrophobicContact CG1-CG1 4.27Å; V659-I703 HydrophobicContact CG1-CG2 3.83Å; A660-I703 HydrophobicContact CB-CG2 4.15Å; T663-I703 HydrophobicContact CG2-CD1 3.98Å; F688-I703 HydrophobicContact CE1-CG1 4.17Å; F688-I703 HydrophobicContact CZ-CG1 3.75Å; L699-I703 HydrophobicContact CD1-CD1 4.16Å; L699-I703 HydrophobicContact CD1-CG1 4.39Å; L699-I703 HydrophobicContact CG-CD1 4.06Å; L699-I703 WeakPolarHBondContact O-CG1 3.48Å; L699-I703 PolarHBondContact O-N 3.04Å; I703-R705 PolarHBondContact O-N 3.1Å; I703-I706 PolarHBondContact O-N 3.48Å
704	K	96.7	Very high	94.2	Very high	89 Å²	89	50.9 Å²	50.9	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-27.8	176.9	-70.8	169.7	-167.8	168	0	114	R653 L700 N701 A702	R653-K704 PolarHBondContact NH1-O 2.68Å; R653-K704 VanDerWaalsContact NH1-O 3.16Å; L700-K704 VanDerWaalsContact O-CG 3.29Å; L700-K704 WeakPolarHBondContact O-CG 3.49Å; L700-K704 PolarHBondContact O-N 3.06Å; N701-K704 PolarHBondContact OD1-NZ 2.78Å; A702-K704 VanDerWaalsContact C-N 3.35Å; A702-K704 PolarHBondContact O-N 2.89Å
705	R	96.8	Very high	94.8	Very high	167 Å²	167	47.6 Å²	47.6	63%	0.63	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	2.6	-175.6	-74.4	179.9	-68.1	-174.1	2.3	114.1	N701 A702 I703 N707	N701-R705 WeakPolarHBondContact O-CG 3.48Å; N701-R705 PolarHBondContact O-NE 3.16Å; A702-R705 PolarHBondContact O-N 2.82Å; I703-R705 PolarHBondContact O-N 3.1Å; R705-N707 PolarHBondContact O-N 3.44Å
706	I	97.7	Very high	95.3	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.8	131.2	167.6	-62.8	173.5	0	0	0	108.3	I641 F652 R653 L656 A677 E687 F688 A702 I703	I641-I706 HydrophobicContact CD1-CD1 4.23Å; F652-I706 HydrophobicContact CE1-CG2 3.99Å; F652-I706 HydrophobicContact CZ-CG2 3.8Å; R653-I706 PolarHBondContact NH1-O 3.36Å; L656-I706 HydrophobicContact CD1-CB 4.06Å; L656-I706 HydrophobicContact CD2-CB 3.9Å; L656-I706 HydrophobicContact CD2-CD1 3.83Å; L656-I706 HydrophobicContact CD2-CG1 4.36Å; L656-I706 HydrophobicContact CD2-CG2 4.25Å; A677-I706 HydrophobicContact CB-CD1 4.17Å; E687-I706 HydrophobicContact CB-CD1 4.14Å; E687-I706 HydrophobicContact CB-CG1 4.14Å; E687-I706 HydrophobicContact CG-CD1 4.05Å; E687-I706 HydrophobicContact CG-CG1 4.02Å; E687-I706 HydrophobicContact CG-CG2 4Å; F688-I706 HydrophobicContact CE1-CD1 4.14Å; A702-I706 PolarHBondContact O-N 3.09Å; I703-I706 PolarHBondContact O-N 3.48Å
707	N	96.1	Very high	95.8	Very high	108 Å²	108	43 Å²	43	58%	0.578	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-96.1	135.2	178.6	-76.8	-19.3	0	0	0	109.9	Q679 R705	Q679-N707 PolarHBondContact NE2-O 2.76Å; Q679-N707 PolarHBondContact OE1-O 2.95Å; R705-N707 PolarHBondContact O-N 3.44Å
708	Y	96.9	Very high	96	Very high	51 Å²	51	40.3 Å²	40.3	20%	0.2	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-65	137.9	174.4	172.5	-100.4	0	0	0	111.2	G643 S644 S645 G648 T649 F652 S710	G643-Y708 WeakPolarHBondContact O-CE2 3.44Å; S644-Y708 WeakPolarHBondContact O-CE2 3.33Å; S644-Y708 PolarHBondContact O-OH 2.77Å; S645-Y708 WeakPolarHBondContact CA-OH 3.36Å; G648-Y708 WeakPolarHBondContact CA-OH 3.4Å; G648-Y708 PolarHBondContact N-OH 3.33Å; T649-Y708 HydrophobicContact CG2-CD1 3.52Å; T649-Y708 HydrophobicContact CG2-CE1 3.84Å; T649-Y708 HydrophobicContact CG2-CG 4.13Å; F652-Y708 HydrophobicContact CB-CD2 3.7Å; F652-Y708 HydrophobicContact CB-CE2 4.38Å; F652-Y708 HydrophobicContact CB-CG 4.45Å; F652-Y708 HydrophobicContact CD1-CD2 4.1Å; F652-Y708 HydrophobicContact CD1-CG 4.38Å; F652-Y708 AromaticContact CD2-CD2 3.85Å; F652-Y708 HydrophobicContact CD2-CD2 3.85Å; F652-Y708 HydrophobicContact CE2-CD2 4.47Å; F652-Y708 AromaticContact CG-CD2 3.63Å; F652-Y708 HydrophobicContact CG-CD2 3.63Å; F652-Y708 HydrophobicContact CG-CG 4.33Å; Y708-S710 PolarHBondContact OH-OG 3.06Å
709	W	89.2	Confident	96.2	Very high	97 Å²	97	35.2 Å²	35.2	37%	0.367	18%	0.176	S	C	.	.			trans	-105.5	-40.1	-172	-164.4	1	0	0	0	114.2	T681 E683 R685	T681-W709 HydrophobicContact CG2-CB 3.95Å; T681-W709 HydrophobicContact CG2-CD2 4.11Å; T681-W709 HydrophobicContact CG2-CE3 3.95Å; T681-W709 HydrophobicContact CG2-CG 4.13Å; E683-W709 HydrophobicContact CB-CH2 3.5Å; E683-W709 VanDerWaalsContact CB-CH2 3.5Å; E683-W709 HydrophobicContact CB-CZ2 4.04Å; E683-W709 HydrophobicContact CB-CZ3 4.26Å; R685-W709 HydrophobicContact CB-CE3 4.23Å; R685-W709 HydrophobicContact CB-CH2 4.09Å; R685-W709 HydrophobicContact CB-CZ3 3.57Å
710	S	91.6	Very high	96.2	Very high	48 Å²	48	37.7 Å²	37.7	34%	0.336	19%	0.192	S	C	.	.			trans	66.3	146.8	-169.9	-132.1	0	0	0	0	114.5	G643 S645 Y708	G643-S710 WeakPolarHBondContact O-CA 3.49Å; G643-S710 PolarHBondContact O-N 3.07Å; S645-S710 PolarHBondContact OG-OG 3.02Å; Y708-S710 PolarHBondContact OH-OG 3.06Å
711	G	94.1	Very high	96.2	Very high	18 Å²	18	39 Å²	39	19%	0.186	20%	0.196	C	C	.	.			trans	153.9	-158.1	-179	0	0	0	0	0	112.5	S644 S645	S644-G711 WeakPolarHBondContact CB-O 3.5Å; S645-G711 WeakPolarHBondContact CB-O 3.41Å; S645-G711 PolarHBondContact N-O 2.8Å; S645-G711 PolarHBondContact OG-N 2.88Å; S645-G711 PolarHBondContact OG-O 2.85Å
712	G	93	Very high	96.2	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	18%	0.179	C	C	.	.			trans	-88.3	-163.1	168.6	0	0	0	0	0	112.4	S644 T681 Y682	S644-G712 WeakPolarHBondContact CB-O 3.31Å; T681-G712 CarbonylContact C-O 3.39Å; T681-G712 WeakPolarHBondContact CA-O 3.3Å; T681-G712 WeakPolarHBondContact CB-O 3.31Å; Y682-G712 VanDerWaalsContact CD2-N 3.32Å; Y682-G712 VanDerWaalsContact CZ-N 3.31Å; Y682-G712 PolarHBondContact N-O 2.94Å
713	T	93.5	Very high	96.2	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.031	18%	0.178	C	C	.	.			trans	-132.3	86.1	-167.1	-45.7	0	0	0	0	110.9	D642 S644 Y680 T715 S746 Y747	D642-T713 WeakPolarHBondContact OD2-CG2 3.4Å; S644-T713 VanDerWaalsContact CB-OG1 3.32Å; S644-T713 WeakPolarHBondContact CB-OG1 3.34Å; S644-T713 PolarHBondContact OG-OG1 2.73Å; Y680-T713 HydrophobicContact CE2-CG2 3.91Å; T713-T715 PolarHBondContact O-N 2.89Å; T713-S746 WeakPolarHBondContact O-CA 3.35Å; T713-S746 PolarHBondContact O-OG 2.87Å; T713-Y747 WeakPolarHBondContact O-CD2 3.39Å; T713-Y747 PolarHBondContact O-N 3.28Å
714	S	96.8	Very high	96.1	Very high	16 Å²	16	41.3 Å²	41.3	11%	0.112	21%	0.205	C	C	.	.			trans	-97.7	70.3	179	-60.4	0	0	0	0	111.4	T681 Y682 G716 A718	T681-S714 WeakPolarHBondContact O-CB 3.47Å; T681-S714 PolarHBondContact O-N 3.45Å; Y682-S714 PolarHBondContact O-OG 3.28Å; S714-G716 PolarHBondContact O-N 3.11Å; S714-A718 WeakPolarHBondContact O-CB 3.31Å; S714-A718 PolarHBondContact O-N 3Å
715	T	97.3	Very high	96.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-31.6	-173.7	-50.1	0	0	0	0	113	Y680 T713 A718 I719 V740 S746 D748 V750 I780	Y680-T715 HydrophobicContact CE2-CG2 4.45Å; Y680-T715 WeakPolarHBondContact CE2-OG1 3.35Å; Y680-T715 PolarHBondContact OH-OG1 3.01Å; T713-T715 PolarHBondContact O-N 2.89Å; T715-A718 PolarHBondContact O-N 2.85Å; T715-I719 HydrophobicContact CG2-CD1 4.08Å; T715-I719 WeakPolarHBondContact O-CD1 3.14Å; T715-I719 VanDerWaalsContact O-CG1 3.27Å; T715-I719 WeakPolarHBondContact O-CG1 3.43Å; T715-I719 PolarHBondContact O-N 2.97Å; T715-V740 HydrophobicContact CG2-CG1 3.71Å; T715-S746 VanDerWaalsContact CB-OG 3.26Å; T715-S746 WeakPolarHBondContact CB-OG 3.36Å; T715-S746 PolarHBondContact N-OG 2.89Å; T715-S746 PolarHBondContact OG1-OG 3.02Å; T715-D748 PolarHBondContact N-OD1 3.21Å; T715-V750 HydrophobicContact CG2-CG1 4.33Å; T715-I780 HydrophobicContact CG2-CD1 3.77Å
716	G	96.8	Very high	96.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-45.1	177.2	0	0	0	0	0	112.7	S714 I719 T720 D748 P753	S714-G716 PolarHBondContact O-N 3.11Å; G716-I719 PolarHBondContact O-N 2.88Å; G716-T720 PolarHBondContact O-N 2.88Å; G716-T720 VanDerWaalsContact O-N 3.1Å; G716-T720 PolarHBondContact O-OG1 2.9Å; G716-D748 VanDerWaalsContact CA-OD2 3.3Å; G716-D748 WeakPolarHBondContact CA-OD2 3.41Å; G716-D748 PolarHBondContact N-OD1 2.71Å; G716-D748 PolarHBondContact N-OD2 3.3Å; G716-P753 VanDerWaalsContact O-CB 3.27Å; G716-P753 WeakPolarHBondContact O-CB 3.47Å; G716-P753 WeakPolarHBondContact O-CG 3.49Å
717	A	97.9	Very high	96	Very high	30 Å²	30	32 Å²	32	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-42	171.2	0	0	0	0	0	111.3	Q684 I719 T720 F721 D748	Q684-A717 HydrophobicContact CG-CB 4.47Å; A717-I719 PolarHBondContact O-N 3.13Å; A717-T720 WeakPolarHBondContact O-CB 3.5Å; A717-T720 PolarHBondContact O-N 3.03Å; A717-F721 WeakPolarHBondContact O-CB 3.41Å; A717-F721 PolarHBondContact O-N 2.78Å; A717-D748 PolarHBondContact N-OD2 3.04Å
718	A	98	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.4	0	0	0	0	0	113.5	V640 Y680 Q684 S714 T715 T720 F721 A722	V640-A718 HydrophobicContact CG1-CB 3.66Å; Y680-A718 HydrophobicContact CD1-CB 3.57Å; Y680-A718 HydrophobicContact CD2-CB 3.65Å; Y680-A718 HydrophobicContact CE1-CB 4.11Å; Y680-A718 HydrophobicContact CE2-CB 4.17Å; Y680-A718 HydrophobicContact CG-CB 3.3Å; Q684-A718 HydrophobicContact CG-CB 4.25Å; S714-A718 WeakPolarHBondContact O-CB 3.31Å; S714-A718 PolarHBondContact O-N 3Å; T715-A718 PolarHBondContact O-N 2.85Å; A718-T720 VanDerWaalsContact C-N 3.34Å; A718-F721 PolarHBondContact O-N 2.84Å; A718-A722 WeakPolarHBondContact O-CB 3.26Å; A718-A722 PolarHBondContact O-N 3.31Å
719	I	98.3	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-42.1	174.1	-73	164.5	0	0	0	111.1	T715 G716 A717 A723 M738 V740 P753 V757 I780	T715-I719 HydrophobicContact CG2-CD1 4.08Å; T715-I719 WeakPolarHBondContact O-CD1 3.14Å; T715-I719 VanDerWaalsContact O-CG1 3.27Å; T715-I719 WeakPolarHBondContact O-CG1 3.43Å; T715-I719 PolarHBondContact O-N 2.97Å; G716-I719 PolarHBondContact O-N 2.88Å; A717-I719 PolarHBondContact O-N 3.13Å; I719-A723 PolarHBondContact O-N 2.85Å; I719-A723 VanDerWaalsContact O-N 3.12Å; I719-M738 HydrophobicContact CG1-CE 4.08Å; I719-M738 HydrophobicContact CG1-SD 4.45Å; I719-M738 HydrophobicContact CG2-CE 4.03Å; I719-M738 HydrophobicContact CG2-SD 4.44Å; I719-V740 HydrophobicContact CD1-CG2 4.41Å; I719-V740 HydrophobicContact CG1-CG2 4.04Å; I719-P753 HydrophobicContact CB-CB 3.99Å; I719-P753 HydrophobicContact CG2-CB 3.68Å; I719-V757 HydrophobicContact CG2-CB 4.28Å; I719-V757 HydrophobicContact CG2-CG2 3.65Å; I719-I780 HydrophobicContact CD1-CB 4.4Å; I719-I780 HydrophobicContact CD1-CD1 4.15Å; I719-I780 HydrophobicContact CD1-CG1 3.76Å; I719-I780 HydrophobicContact CD1-CG2 3.87Å
720	T	97.9	Very high	95.4	Very high	53 Å²	53	29.1 Å²	29.1	33%	0.325	17%	0.167	S	C	.	.	H	α-helix	trans	-65.3	-48.1	178	-52.4	0	0	0	0	111.1	G716 A717 A718 A722 A723 E724 P753	G716-T720 PolarHBondContact O-N 2.88Å; G716-T720 VanDerWaalsContact O-N 3.1Å; G716-T720 PolarHBondContact O-OG1 2.9Å; A717-T720 WeakPolarHBondContact O-CB 3.5Å; A717-T720 PolarHBondContact O-N 3.03Å; A718-T720 VanDerWaalsContact C-N 3.34Å; T720-A722 VanDerWaalsContact C-N 3.35Å; T720-A722 PolarHBondContact O-N 2.96Å; T720-A723 VanDerWaalsContact O-CB 3.25Å; T720-A723 WeakPolarHBondContact O-CB 3.37Å; T720-A723 PolarHBondContact O-N 3.44Å; T720-A723 VanDerWaalsContact O-N 3.11Å; T720-E724 PolarHBondContact O-N 2.77Å; T720-P753 WeakPolarHBondContact OG1-CB 3.22Å
721	F	98.3	Very high	95.1	Very high	48 Å²	48	29.6 Å²	29.6	21%	0.211	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-39.5	178.4	-174.5	-90.7	0	0	0	112.3	V678 Q684 L686 A717 A718 A723 E724 Q725	V678-F721 HydrophobicContact CG1-CD1 3.75Å; V678-F721 HydrophobicContact CG1-CE1 4.14Å; V678-F721 HydrophobicContact CG2-CD1 3.9Å; V678-F721 HydrophobicContact CG2-CE1 4.06Å; Q684-F721 HydrophobicContact CB-CB 3.87Å; Q684-F721 HydrophobicContact CB-CD1 3.78Å; Q684-F721 HydrophobicContact CB-CD2 3.78Å; Q684-F721 HydrophobicContact CB-CE1 4.19Å; Q684-F721 HydrophobicContact CB-CE2 4.19Å; Q684-F721 HydrophobicContact CB-CG 3.55Å; Q684-F721 HydrophobicContact CB-CZ 4.37Å; Q684-F721 HydrophobicContact CG-CB 3.95Å; Q684-F721 HydrophobicContact CG-CG 4.21Å; L686-F721 HydrophobicContact CB-CE1 4.09Å; L686-F721 HydrophobicContact CB-CZ 4.35Å; A717-F721 WeakPolarHBondContact O-CB 3.41Å; A717-F721 PolarHBondContact O-N 2.78Å; A718-F721 PolarHBondContact O-N 2.84Å; F721-A723 VanDerWaalsContact C-N 3.35Å; F721-A723 PolarHBondContact O-N 2.69Å; F721-E724 PolarHBondContact O-N 3.03Å; F721-Q725 HydrophobicContact CD1-CB 4.46Å; F721-Q725 HydrophobicContact CD1-CG 4.12Å; F721-Q725 HydrophobicContact CD2-CG 4.17Å; F721-Q725 HydrophobicContact CE1-CB 4.29Å; F721-Q725 HydrophobicContact CE1-CG 3.88Å; F721-Q725 HydrophobicContact CE2-CG 3.93Å; F721-Q725 HydrophobicContact CG-CG 4.27Å; F721-Q725 HydrophobicContact CZ-CG 3.79Å; F721-Q725 WeakPolarHBondContact O-CB 3.49Å; F721-Q725 WeakPolarHBondContact O-CG 3.31Å; F721-Q725 PolarHBondContact O-N 3.49Å
722	A	98.1	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-37.3	173.9	0	0	0	0	0	112.5	V640 V678 A718 T720 L726 F727 M738	V640-A722 HydrophobicContact CG2-CB 3.58Å; V678-A722 HydrophobicContact CG2-CB 4.36Å; A718-A722 WeakPolarHBondContact O-CB 3.26Å; A718-A722 PolarHBondContact O-N 3.31Å; T720-A722 VanDerWaalsContact C-N 3.35Å; T720-A722 PolarHBondContact O-N 2.96Å; A722-L726 WeakPolarHBondContact O-CB 3.27Å; A722-L726 PolarHBondContact O-N 2.76Å; A722-F727 WeakPolarHBondContact O-CD2 3.35Å; A722-F727 PolarHBondContact O-N 3.29Å; A722-M738 HydrophobicContact CB-SD 4.3Å
723	A	96.3	Very high	93.2	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-49.7	172.9	0	0	0	0	0	111.7	I719 T720 F721 F727 S728 V757	I719-A723 PolarHBondContact O-N 2.85Å; I719-A723 VanDerWaalsContact O-N 3.12Å; T720-A723 VanDerWaalsContact O-CB 3.25Å; T720-A723 WeakPolarHBondContact O-CB 3.37Å; T720-A723 PolarHBondContact O-N 3.44Å; T720-A723 VanDerWaalsContact O-N 3.11Å; F721-A723 VanDerWaalsContact C-N 3.35Å; F721-A723 PolarHBondContact O-N 2.69Å; A723-F727 PolarHBondContact O-N 3.48Å; A723-S728 PolarHBondContact O-N 3.17Å; A723-V757 HydrophobicContact CB-CG2 3.67Å
724	E	96	Very high	92.7	Very high	120 Å²	120	40.5 Å²	40.5	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-74.6	-37.9	-174.8	-68.4	179.8	177.9	0	0	113.3	T720 F721 S728	T720-E724 PolarHBondContact O-N 2.77Å; F721-E724 PolarHBondContact O-N 3.03Å; E724-S728 WeakPolarHBondContact O-CB 3.37Å; E724-S728 PolarHBondContact O-OG 2.92Å
725	Q	97.1	Very high	92.2	Very high	65 Å²	65	41.6 Å²	41.6	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-93.7	-26.5	-174.3	-63.1	-54.7	-26.6	0	0	114.8	F721 K729	F721-Q725 HydrophobicContact CD1-CB 4.46Å; F721-Q725 HydrophobicContact CD1-CG 4.12Å; F721-Q725 HydrophobicContact CD2-CG 4.17Å; F721-Q725 HydrophobicContact CE1-CB 4.29Å; F721-Q725 HydrophobicContact CE1-CG 3.88Å; F721-Q725 HydrophobicContact CE2-CG 3.93Å; F721-Q725 HydrophobicContact CG-CG 4.27Å; F721-Q725 HydrophobicContact CZ-CG 3.79Å; F721-Q725 WeakPolarHBondContact O-CB 3.49Å; F721-Q725 WeakPolarHBondContact O-CG 3.31Å; F721-Q725 PolarHBondContact O-N 3.49Å; Q725-K729 WeakPolarHBondContact O-CD 3.42Å; Q725-K729 WeakPolarHBondContact O-CE 3.4Å; Q725-K729 PolarHBondContact O-NZ 3.31Å
726	L	96.6	Very high	92	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-59.8	179.6	-66.2	175.1	0	0	0	111.8	A638 V678 L686 A689 F690 A722 S728 K729 S730	A638-L726 HydrophobicContact CB-CB 4.48Å; A638-L726 HydrophobicContact CB-CD1 3.52Å; V678-L726 HydrophobicContact CG2-CD1 3.96Å; L686-L726 HydrophobicContact CD1-CD2 3.78Å; L686-L726 HydrophobicContact CD1-CG 4.1Å; A689-L726 HydrophobicContact CB-CD2 4.46Å; F690-L726 HydrophobicContact CD1-CD2 4.41Å; F690-L726 HydrophobicContact CD2-CB 4.15Å; F690-L726 HydrophobicContact CD2-CD2 4.46Å; F690-L726 VanDerWaalsContact CD2-O 3.31Å; F690-L726 WeakPolarHBondContact CD2-O 3.35Å; F690-L726 HydrophobicContact CE1-CB 4.48Å; F690-L726 VanDerWaalsContact CE2-C 3.48Å; F690-L726 HydrophobicContact CE2-CB 3.66Å; F690-L726 VanDerWaalsContact CE2-O 3.29Å; F690-L726 WeakPolarHBondContact CE2-O 3.4Å; F690-L726 HydrophobicContact CG-CD2 4.35Å; F690-L726 HydrophobicContact CZ-CB 3.84Å; A722-L726 WeakPolarHBondContact O-CB 3.27Å; A722-L726 PolarHBondContact O-N 2.76Å; L726-S728 VanDerWaalsContact C-N 3.3Å; L726-S728 PolarHBondContact O-N 3.26Å; L726-K729 PolarHBondContact O-N 3.01Å; L726-S730 PolarHBondContact O-N 3.3Å
727	F	95.3	Very high	92	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-72.7	-17.6	-169.4	-66.4	-65.1	0	0	0	115.4	A638 F690 A722 A723 K729 S730 K736 I737 M738 V762	A638-F727 HydrophobicContact CB-CE1 4.19Å; A638-F727 HydrophobicContact CB-CE2 3.62Å; A638-F727 HydrophobicContact CB-CZ 3.35Å; F690-F727 AromaticContact CE2-CD1 3.98Å; F690-F727 HydrophobicContact CE2-CD1 3.98Å; F690-F727 HydrophobicContact CE2-CE1 4.21Å; F690-F727 HydrophobicContact CZ-CD1 4.02Å; F690-F727 AromaticContact CZ-CE1 3.77Å; F690-F727 HydrophobicContact CZ-CE1 3.77Å; F690-F727 HydrophobicContact CZ-CZ 4.34Å; A722-F727 WeakPolarHBondContact O-CD2 3.35Å; A722-F727 PolarHBondContact O-N 3.29Å; A723-F727 PolarHBondContact O-N 3.48Å; F727-K729 VanDerWaalsContact C-N 3.3Å; F727-S730 WeakPolarHBondContact O-CB 3.36Å; F727-S730 PolarHBondContact O-N 2.95Å; F727-K736 HydrophobicContact CB-CD 4.42Å; F727-K736 HydrophobicContact CD1-CB 3.86Å; F727-K736 HydrophobicContact CD1-CD 4.01Å; F727-K736 HydrophobicContact CD1-CG 4.15Å; F727-K736 HydrophobicContact CE1-CB 3.94Å; F727-K736 PolarHBondContact O-NZ 3.01Å; F727-I737 VanDerWaalsContact CZ-O 3.3Å; F727-I737 WeakPolarHBondContact CZ-O 3.04Å; F727-M738 HydrophobicContact CE2-CB 3.73Å; F727-M738 HydrophobicContact CE2-CG 3.98Å; F727-M738 HydrophobicContact CE2-SD 4.16Å; F727-M738 HydrophobicContact CZ-CB 3.69Å; F727-M738 HydrophobicContact CZ-CG 4.32Å; F727-V762 HydrophobicContact CB-CG2 4.25Å; F727-V762 HydrophobicContact CD1-CG1 4.32Å; F727-V762 HydrophobicContact CD1-CG2 4.07Å; F727-V762 HydrophobicContact CD2-CG1 4.3Å; F727-V762 HydrophobicContact CD2-CG2 4.22Å; F727-V762 HydrophobicContact CE1-CG1 3.92Å; F727-V762 HydrophobicContact CE1-CG2 4.49Å; F727-V762 HydrophobicContact CE2-CG1 3.9Å; F727-V762 HydrophobicContact CG-CG1 4.49Å; F727-V762 HydrophobicContact CG-CG2 3.91Å; F727-V762 HydrophobicContact CZ-CG1 3.68Å
728	S	90.9	Very high	92	Very high	76 Å²	76	42.2 Å²	42.2	53%	0.531	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-63	-32.6	166.1	63	0	0	0	0	113.2	A723 E724 L726	A723-S728 PolarHBondContact O-N 3.17Å; E724-S728 WeakPolarHBondContact O-CB 3.37Å; E724-S728 PolarHBondContact O-OG 2.92Å; L726-S728 VanDerWaalsContact C-N 3.3Å; L726-S728 PolarHBondContact O-N 3.26Å
729	K	89.8	Confident	92	Very high	108 Å²	108	42.2 Å²	42.2	47%	0.47	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-98.6	9.1	-178	-58.9	162.2	-160.4	155	0	112.6	R674 Q725 L726 F727	R674-K729 PolarHBondContact NH2-O 3.07Å; Q725-K729 WeakPolarHBondContact O-CD 3.42Å; Q725-K729 WeakPolarHBondContact O-CE 3.4Å; Q725-K729 PolarHBondContact O-NZ 3.31Å; L726-K729 PolarHBondContact O-N 3.01Å; F727-K729 VanDerWaalsContact C-N 3.3Å
730	S	90.3	Very high	92	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	22%	0.221	C	C	.	.			trans	-77.4	135.8	179.1	171.6	0	0	0	0	111.6	D636 L726 F727 K736	D636-S730 WeakPolarHBondContact OD2-CA 3.3Å; D636-S730 WeakPolarHBondContact OD2-CB 3.38Å; D636-S730 PolarHBondContact OD2-OG 3.36Å; L726-S730 PolarHBondContact O-N 3.3Å; F727-S730 WeakPolarHBondContact O-CB 3.36Å; F727-S730 PolarHBondContact O-N 2.95Å; S730-K736 VanDerWaalsContact OG-CE 3.28Å; S730-K736 WeakPolarHBondContact OG-CE 3.19Å; S730-K736 WeakPolarHBondContact OG-CG 3.23Å
731	K	84.3	Confident	92	Very high	59 Å²	59	39.8 Å²	39.8	26%	0.257	21%	0.206	S	C	.	.			trans	-71.5	137.3	-176.6	-68.2	172.2	179.5	177	0	109.8	D636 D670 N733 K734	D636-K731 PolarHBondContact OD2-N 2.93Å; D636-K731 VanDerWaalsContact OD2-N 3.13Å; D670-K731 PolarHBondContact O-NZ 2.83Å; D670-K731 IonicContact OD1-NZ 2.76Å; D670-K731 PolarHBondContact OD1-NZ 2.04Å; D670-K731 IonicContact OD2-NZ 2.81Å; D670-K731 PolarHBondContact OD2-NZ 3.16Å; K731-N733 VanDerWaalsContact CB-OD1 3.31Å; K731-N733 WeakPolarHBondContact CB-OD1 3.46Å; K731-N733 PolarHBondContact O-N 3.37Å; K731-K734 HydrophobicContact CB-CG 3.95Å; K731-K734 WeakPolarHBondContact O-CB 3.33Å; K731-K734 PolarHBondContact O-N 2.83Å
732	P	75.6	Confident	91.9	Very high	139 Å²	139	37.8 Å²	37.8	90%	0.903	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.4	-176.1	-27	35.3	0	0	0	115.6
733	N	72.5	Confident	91.6	Very high	92 Å²	92	38.1 Å²	38.1	49%	0.492	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.8	178.3	67.4	-15.6	0	0	0	114.1	K731	K731-N733 VanDerWaalsContact CB-OD1 3.31Å; K731-N733 WeakPolarHBondContact CB-OD1 3.46Å; K731-N733 PolarHBondContact O-N 3.37Å
734	K	83.1	Confident	91.2	Very high	23 Å²	23	38.3 Å²	38.3	10%	0.1	20%	0.202	C	C	.	.	S	Bend	trans	-107.4	140.9	-179.7	-68	-72.3	169.3	179.6	0	112.2	N633 A634 D636 T671 D672 K731 K736	N633-K734 PolarHBondContact O-NZ 2.97Å; A634-K734 WeakPolarHBondContact O-CA 3.42Å; D636-K734 HydrophobicContact CB-CB 4.19Å; T671-K734 PolarHBondContact O-NZ 3.27Å; D672-K734 WeakPolarHBondContact O-CE 3.11Å; D672-K734 PolarHBondContact O-NZ 3.36Å; K731-K734 HydrophobicContact CB-CG 3.95Å; K731-K734 WeakPolarHBondContact O-CB 3.33Å; K731-K734 PolarHBondContact O-N 2.83Å; K734-K736 PolarHBondContact O-N 3.35Å
735	R	87	Confident	91.1	Very high	40 Å²	40	39.4 Å²	39.4	15%	0.151	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.2	173.7	-135.8	-72.9	148.4	-120.8	-8.6	109	A634 N635 D636 I737 G761 I763 F813 Q816	A634-R735 PolarHBondContact O-N 2.8Å; N635-R735 CarbonylContact C-O 3.5Å; N635-R735 WeakPolarHBondContact CA-O 3.34Å; N635-R735 WeakPolarHBondContact OD1-CB 3.26Å; D636-R735 PolarHBondContact N-O 2.79Å; R735-I737 PolarHBondContact O-N 2.85Å; R735-G761 PolarHBondContact NH1-O 2.7Å; R735-G761 PolarHBondContact NH2-O 3.17Å; R735-I763 VanDerWaalsContact CZ-CD1 3.41Å; R735-F813 HydrophobicContact CB-CD2 4.1Å; R735-F813 HydrophobicContact CB-CE2 4.32Å; R735-F813 HydrophobicContact CG-CD2 3.95Å; R735-F813 HydrophobicContact CG-CE2 4.45Å; R735-Q816 VanDerWaalsContact NH2-NE2 3.2Å; R735-Q816 VanDerWaalsContact NH2-OE1 3.14Å
736	K	93.3	Very high	91	Very high	44 Å²	44	37 Å²	37	19%	0.191	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.3	178.6	-56.1	-167.6	-175.5	-164	0	110.6	F727 S730 K734 V762 I763	F727-K736 HydrophobicContact CB-CD 4.42Å; F727-K736 HydrophobicContact CD1-CB 3.86Å; F727-K736 HydrophobicContact CD1-CD 4.01Å; F727-K736 HydrophobicContact CD1-CG 4.15Å; F727-K736 HydrophobicContact CE1-CB 3.94Å; F727-K736 PolarHBondContact O-NZ 3.01Å; S730-K736 VanDerWaalsContact OG-CE 3.28Å; S730-K736 WeakPolarHBondContact OG-CE 3.19Å; S730-K736 WeakPolarHBondContact OG-CG 3.23Å; K734-K736 PolarHBondContact O-N 3.35Å; K736-V762 HydrophobicContact CB-CB 4.22Å; K736-V762 HydrophobicContact CB-CG1 4.2Å; K736-V762 HydrophobicContact CB-CG2 3.9Å; K736-V762 HydrophobicContact CD-CG2 4Å; K736-I763 PolarHBondContact O-N 2.98Å; K736-I763 VanDerWaalsContact O-N 3.09Å
737	I	95.6	Very high	90.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	179.9	-57.5	174.5	0	0	0	108.6	N635 D636 I637 A638 F727 R735 I739 I763 Y765 I809	N635-I737 HydrophobicContact CB-CD1 4.12Å; D636-I737 PolarHBondContact O-N 3.04Å; I637-I737 CarbonylContact C-O 3.57Å; I637-I737 VanDerWaalsContact CA-O 3.31Å; I637-I737 WeakPolarHBondContact CA-O 3.46Å; I637-I737 HydrophobicContact CG1-CB 4.37Å; I637-I737 HydrophobicContact CG1-CD1 4.49Å; A638-I737 PolarHBondContact N-O 2.97Å; F727-I737 VanDerWaalsContact CZ-O 3.3Å; F727-I737 WeakPolarHBondContact CZ-O 3.04Å; R735-I737 PolarHBondContact O-N 2.85Å; I737-I739 HydrophobicContact CG2-CG1 4.19Å; I737-I763 WeakPolarHBondContact CA-O 3.46Å; I737-Y765 HydrophobicContact CG2-CD2 3.85Å; I737-Y765 HydrophobicContact CG2-CE2 3.97Å; I737-I809 HydrophobicContact CD1-CB 4.45Å; I737-I809 HydrophobicContact CD1-CD1 4.35Å; I737-I809 HydrophobicContact CD1-CG1 4.18Å; I737-I809 HydrophobicContact CD1-CG2 3.55Å; I737-I809 HydrophobicContact CG2-CD1 4.31Å
738	M	97.8	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.3	173	-172.7	175.5	64.6	0	0	108.8	A638 V640 I719 A722 F727 V740 V757 V762 I763 A764 Y765	A638-M738 CarbonylContact O-C 3.22Å; A638-M738 WeakPolarHBondContact O-CA 3.45Å; V640-M738 HydrophobicContact CG2-CG 3.81Å; V640-M738 HydrophobicContact CG2-SD 4.02Å; I719-M738 HydrophobicContact CG1-CE 4.08Å; I719-M738 HydrophobicContact CG1-SD 4.45Å; I719-M738 HydrophobicContact CG2-CE 4.03Å; I719-M738 HydrophobicContact CG2-SD 4.44Å; A722-M738 HydrophobicContact CB-SD 4.3Å; F727-M738 HydrophobicContact CE2-CB 3.73Å; F727-M738 HydrophobicContact CE2-CG 3.98Å; F727-M738 HydrophobicContact CE2-SD 4.16Å; F727-M738 HydrophobicContact CZ-CB 3.69Å; F727-M738 HydrophobicContact CZ-CG 4.32Å; M738-V740 HydrophobicContact CE-CG2 3.73Å; M738-V740 HydrophobicContact CG-CG2 4.08Å; M738-V740 HydrophobicContact SD-CG2 4.13Å; M738-V757 HydrophobicContact CE-CG1 3.82Å; M738-V757 HydrophobicContact SD-CG1 4.23Å; M738-V762 HydrophobicContact CB-CG1 3.84Å; M738-I763 PolarHBondContact N-O 3.33Å; M738-A764 HydrophobicContact CE-CB 3.7Å; M738-Y765 PolarHBondContact O-N 3.28Å
739	I	98.3	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	102.8	175.7	-55.1	179.4	0	0	0	107.4	I637 A638 F639 V640 V662 I737 I741 Y765 I767 I809	I637-I739 HydrophobicContact CG2-CD1 3.97Å; I637-I739 HydrophobicContact CG2-CG1 4.38Å; A638-I739 PolarHBondContact O-N 2.9Å; F639-I739 WeakPolarHBondContact CA-O 3.27Å; F639-I739 HydrophobicContact CD1-CB 3.92Å; F639-I739 HydrophobicContact CD1-CD1 4.34Å; F639-I739 HydrophobicContact CD1-CG2 4.18Å; F639-I739 HydrophobicContact CE1-CB 4.15Å; F639-I739 HydrophobicContact CE1-CD1 3.71Å; F639-I739 HydrophobicContact CE1-CG1 4.44Å; F639-I739 HydrophobicContact CE1-CG2 4.27Å; F639-I739 HydrophobicContact CZ-CD1 4.15Å; V640-I739 PolarHBondContact N-O 3.39Å; V662-I739 HydrophobicContact CG1-CD1 4.11Å; I737-I739 HydrophobicContact CG2-CG1 4.19Å; I739-I741 HydrophobicContact CG2-CG1 4.4Å; I739-Y765 HydrophobicContact CG1-CG 4.49Å; I739-I767 HydrophobicContact CG2-CD1 3.56Å; I739-I767 HydrophobicContact CG2-CG1 4.22Å; I739-I809 HydrophobicContact CD1-CD1 4.46Å
740	V	98.4	Very high	91.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.9	176.8	-173.5	0	0	0	0	108.8	V640 T715 I719 M738 Y765 S766 I767 I780	V640-V740 HydrophobicContact CB-CG2 4.2Å; V640-V740 WeakPolarHBondContact O-CA 3.44Å; T715-V740 HydrophobicContact CG2-CG1 3.71Å; I719-V740 HydrophobicContact CD1-CG2 4.41Å; I719-V740 HydrophobicContact CG1-CG2 4.04Å; M738-V740 HydrophobicContact CE-CG2 3.73Å; M738-V740 HydrophobicContact CG-CG2 4.08Å; M738-V740 HydrophobicContact SD-CG2 4.13Å; V740-Y765 PolarHBondContact N-O 3.31Å; V740-S766 CarbonylContact O-C 3.59Å; V740-S766 WeakPolarHBondContact O-CA 3.48Å; V740-I767 PolarHBondContact O-N 2.94Å; V740-I780 HydrophobicContact CB-CG2 4.07Å; V740-I780 HydrophobicContact CG2-CG2 3.77Å
741	I	98.1	Very high	90.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.2	176.2	-49.2	176.5	0	0	0	107.4	V640 D642 V655 F658 V659 Y680 I739 I767 I769	V640-I741 PolarHBondContact O-N 2.87Å; D642-I741 VanDerWaalsContact CB-O 3.23Å; D642-I741 WeakPolarHBondContact CB-O 3.4Å; D642-I741 PolarHBondContact N-O 2.69Å; V655-I741 HydrophobicContact CG1-CD1 3.89Å; V655-I741 HydrophobicContact CG1-CG2 4.01Å; V655-I741 HydrophobicContact CG2-CG2 4.47Å; F658-I741 HydrophobicContact CD1-CD1 3.81Å; F658-I741 HydrophobicContact CE1-CD1 3.86Å; V659-I741 HydrophobicContact CG2-CD1 3.66Å; Y680-I741 PolarHBondContact OH-O 2.61Å; I739-I741 HydrophobicContact CG2-CG1 4.4Å; I741-I767 WeakPolarHBondContact CA-O 3.47Å; I741-I767 HydrophobicContact CG1-CB 4.41Å; I741-I767 HydrophobicContact CG1-CD1 4.47Å; I741-I769 HydrophobicContact CG2-CD1 3.76Å
742	T	96.5	Very high	91	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151	179.3	178.3	0	0	0	0	110.8	D642 G744 I767 G768 I769 A772 L777	D642-T742 WeakPolarHBondContact OD2-CA 3.18Å; D642-T742 PolarHBondContact OD2-OG1 3.21Å; T742-G744 PolarHBondContact OG1-N 3.06Å; T742-G744 PolarHBondContact OG1-O 3.09Å; T742-I767 PolarHBondContact N-O 3.23Å; T742-G768 CarbonylContact O-C 3.54Å; T742-G768 WeakPolarHBondContact O-CA 3.35Å; T742-I769 PolarHBondContact O-N 3.49Å; T742-A772 HydrophobicContact CG2-CB 4.23Å; T742-L777 HydrophobicContact CG2-CD2 3.68Å
743	D	92.3	Very high	91.9	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.032	20%	0.201	C	C	.	.	S	Bend	trans	-111.4	0.7	172.2	91.6	-35.3	0	0	0	114.6	D642 S646 V647 I769 W771 A772 F795	D642-D743 PolarHBondContact OD2-N 3.18Å; S646-D743 VanDerWaalsContact CB-OD1 3.27Å; S646-D743 WeakPolarHBondContact CB-OD1 3.49Å; S646-D743 WeakPolarHBondContact CB-OD2 3.37Å; S646-D743 PolarHBondContact OG-OD1 2.64Å; V647-D743 WeakPolarHBondContact CA-OD2 3.44Å; V647-D743 HydrophobicContact CG2-CB 4.03Å; V647-D743 PolarHBondContact N-OD2 3.42Å; V647-D743 VanDerWaalsContact N-OD2 3.11Å; D743-I769 CarbonylContact C-O 3.51Å; D743-I769 WeakPolarHBondContact CA-O 3.41Å; D743-I769 HydrophobicContact CB-CB 4.3Å; D743-I769 VanDerWaalsContact O-O 3.14Å; D743-W771 CarbonylContact O-C 3.51Å; D743-W771 VanDerWaalsContact O-C 3.26Å; D743-W771 WeakPolarHBondContact O-CA 3.27Å; D743-W771 PolarHBondContact O-N 2.83Å; D743-A772 PolarHBondContact O-N 3.23Å; D743-A772 VanDerWaalsContact O-N 3.07Å; D743-F795 HydrophobicContact CB-CE1 4.29Å; D743-F795 HydrophobicContact CB-CE2 4.43Å; D743-F795 HydrophobicContact CB-CZ 3.59Å
744	G	87.8	Confident	92.8	Very high	11 Å²	11	37.8 Å²	37.8	11%	0.113	18%	0.177	C	C	.	.	S	Bend	trans	-141.4	-169.5	-172.3	0	0	0	0	0	115.2	T742 A772 A773	T742-G744 PolarHBondContact OG1-N 3.06Å; T742-G744 PolarHBondContact OG1-O 3.09Å; G744-A772 WeakPolarHBondContact O-CA 3.5Å; G744-A773 PolarHBondContact O-N 2.61Å
745	R	91.9	Very high	92.9	Very high	143 Å²	143	37.7 Å²	37.7	54%	0.54	18%	0.178	S	C	.	.			trans	-89.4	139.9	170.1	160.1	158.1	-81.7	145.1	2.3	109.5	A773 D775 E776	R745-A773 HydrophobicContact CB-CB 4.1Å; R745-D775 IonicContact NH2-OD1 3.44Å; R745-D775 PolarHBondContact NH2-OD1 2.83Å; R745-D775 VanDerWaalsContact NH2-OD1 3.08Å; R745-D775 IonicContact NH2-OD2 3.71Å; R745-D775 PolarHBondContact NH2-OD2 3.26Å; R745-E776 WeakPolarHBondContact CG-OE1 3.23Å; R745-E776 IonicContact CZ-OE1 3.36Å; R745-E776 IonicContact NE-OE1 3.87Å; R745-E776 PolarHBondContact NE-OE1 2.8Å; R745-E776 IonicContact NH2-OE1 2.64Å; R745-E776 PolarHBondContact NH2-OE1 2.93Å
746	S	95.3	Very high	92.9	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.091	19%	0.187	C	C	.	.			trans	-69.7	146.5	177.1	-147.7	0	0	0	0	112.2	T713 T715 D748 E776	T713-S746 WeakPolarHBondContact O-CA 3.35Å; T713-S746 PolarHBondContact O-OG 2.87Å; T715-S746 VanDerWaalsContact CB-OG 3.26Å; T715-S746 WeakPolarHBondContact CB-OG 3.36Å; T715-S746 PolarHBondContact N-OG 2.89Å; T715-S746 PolarHBondContact OG1-OG 3.02Å; S746-D748 VanDerWaalsContact C-N 3.27Å; S746-D748 PolarHBondContact OG-OD1 2.71Å; S746-E776 PolarHBondContact N-OE2 3Å
747	Y	94	Very high	92.8	Very high	163 Å²	163	35.7 Å²	35.7	64%	0.639	18%	0.178	S	C	*	.	S	Bend	trans	-79.9	-9.6	170.7	-74.4	-97.2	0	0	0	112.9	T713	T713-Y747 WeakPolarHBondContact O-CD2 3.39Å; T713-Y747 PolarHBondContact O-N 3.28Å
748	D	95.5	Very high	92.4	Very high	50 Å²	50	36.2 Å²	36.2	27%	0.267	18%	0.181	S	C	.	.	S	Bend	trans	-131.1	168.6	-175	66.8	-9.3	0	0	0	113.3	T715 G716 A717 S746 V750	T715-D748 PolarHBondContact N-OD1 3.21Å; G716-D748 VanDerWaalsContact CA-OD2 3.3Å; G716-D748 WeakPolarHBondContact CA-OD2 3.41Å; G716-D748 PolarHBondContact N-OD1 2.71Å; G716-D748 PolarHBondContact N-OD2 3.3Å; A717-D748 PolarHBondContact N-OD2 3.04Å; S746-D748 VanDerWaalsContact C-N 3.27Å; S746-D748 PolarHBondContact OG-OD1 2.71Å; D748-V750 PolarHBondContact O-N 3.2Å
749	D	90.8	Very high	91.8	Very high	69 Å²	69	41 Å²	41	37%	0.369	20%	0.199	S	C	.	.			trans	-75.3	108.2	-179.5	-174.6	84.9	0	0	0	111.6	R751 A752 P753	D749-R751 VanDerWaalsContact C-N 3.3Å; D749-R751 PolarHBondContact O-N 2.63Å; D749-R751 IonicContact OD1-CZ 2.7Å; D749-R751 IonicContact OD1-NE 2.95Å; D749-R751 PolarHBondContact OD1-NE 2.91Å; D749-R751 IonicContact OD1-NH2 3.23Å; D749-R751 PolarHBondContact OD1-NH2 2.82Å; D749-R751 WeakPolarHBondContact OD2-CB 3.13Å; D749-R751 PolarHBondContact OD2-N 2.94Å; D749-R751 VanDerWaalsContact OD2-N 3.07Å; D749-A752 PolarHBondContact OD2-N 2.99Å; D749-P753 WeakPolarHBondContact O-CD 3.37Å; D749-P753 WeakPolarHBondContact O-CG 3.36Å
750	V	94.2	Very high	91.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	22%	0.221	C	C	.	.			trans	-74.4	-18.2	176	-56.4	0	0	0	0	113.7	T715 D748 A754 E776 I780	T715-V750 HydrophobicContact CG2-CG1 4.33Å; D748-V750 PolarHBondContact O-N 3.2Å; V750-A754 WeakPolarHBondContact O-CB 3.47Å; V750-A754 PolarHBondContact O-N 3.04Å; V750-E776 HydrophobicContact CG2-CB 3.99Å; V750-E776 HydrophobicContact CG2-CG 3.95Å; V750-I780 HydrophobicContact CB-CD1 4.17Å; V750-I780 HydrophobicContact CB-CG1 3.87Å; V750-I780 HydrophobicContact CG1-CD1 4.17Å; V750-I780 HydrophobicContact CG1-CG1 4.42Å; V750-I780 HydrophobicContact CG2-CD1 4.37Å; V750-I780 HydrophobicContact CG2-CG1 3.99Å
751	R	86.2	Confident	90.5	Very high	136 Å²	136	47.4 Å²	47.4	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-73.3	-43.4	-167.3	-61.2	174.6	-68.8	-158.3	-8.4	112.3	D749 L755 Y779	D749-R751 VanDerWaalsContact C-N 3.3Å; D749-R751 PolarHBondContact O-N 2.63Å; D749-R751 IonicContact OD1-CZ 2.7Å; D749-R751 IonicContact OD1-NE 2.95Å; D749-R751 PolarHBondContact OD1-NE 2.91Å; D749-R751 IonicContact OD1-NH2 3.23Å; D749-R751 PolarHBondContact OD1-NH2 2.82Å; D749-R751 WeakPolarHBondContact OD2-CB 3.13Å; D749-R751 PolarHBondContact OD2-N 2.94Å; D749-R751 VanDerWaalsContact OD2-N 3.07Å; R751-L755 VanDerWaalsContact O-CB 3.26Å; R751-L755 WeakPolarHBondContact O-CB 3.38Å; R751-L755 PolarHBondContact O-N 3.02Å; R751-Y779 HydrophobicContact CG-CD1 4.15Å; R751-Y779 HydrophobicContact CG-CD2 3.81Å; R751-Y779 HydrophobicContact CG-CE2 4.38Å; R751-Y779 HydrophobicContact CG-CG 3.71Å
752	A	87.4	Confident	90.2	Very high	63 Å²	63	47.5 Å²	47.5	52%	0.521	24%	0.239	S	C	.	.	H	α-helix	trans	-69.8	-45.7	177.2	0	0	0	0	0	113.1	D749 A756	D749-A752 PolarHBondContact OD2-N 2.99Å; A752-A756 WeakPolarHBondContact O-CB 3.38Å; A752-A756 PolarHBondContact O-N 2.86Å
753	P	94.8	Very high	90	Very high	18 Å²	18	47.3 Å²	47.3	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-49.8	171.6	-29.8	38.4	0	0	0	113.9	G716 I719 T720 D749 L755 A756 V757	G716-P753 VanDerWaalsContact O-CB 3.27Å; G716-P753 WeakPolarHBondContact O-CB 3.47Å; G716-P753 WeakPolarHBondContact O-CG 3.49Å; I719-P753 HydrophobicContact CB-CB 3.99Å; I719-P753 HydrophobicContact CG2-CB 3.68Å; T720-P753 WeakPolarHBondContact OG1-CB 3.22Å; D749-P753 WeakPolarHBondContact O-CD 3.37Å; D749-P753 WeakPolarHBondContact O-CG 3.36Å; P753-L755 PolarHBondContact O-N 3.18Å; P753-A756 WeakPolarHBondContact O-CB 3.19Å; P753-A756 PolarHBondContact O-N 3.43Å; P753-A756 VanDerWaalsContact O-N 3.12Å; P753-V757 PolarHBondContact O-N 3.3Å
754	A	91.8	Very high	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-48.8	179.9	0	0	0	0	0	111.6	V750 A756 V757 H758 Y779	V750-A754 WeakPolarHBondContact O-CB 3.47Å; V750-A754 PolarHBondContact O-N 3.04Å; A754-A756 VanDerWaalsContact C-N 3.28Å; A754-A756 PolarHBondContact O-N 3.01Å; A754-V757 PolarHBondContact O-N 3.23Å; A754-V757 VanDerWaalsContact O-N 3.11Å; A754-H758 PolarHBondContact O-CD2 3.19Å; A754-H758 PolarHBondContact O-N 3.28Å; A754-Y779 VanDerWaalsContact CB-O 3.28Å; A754-Y779 WeakPolarHBondContact CB-O 3.48Å
755	L	84.5	Confident	90.6	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-35.9	175.8	175.9	62.2	0	0	0	112.9	I75 R751 P753 R759	I75-L755 HydrophobicContact CD1-CD1 3.82Å; R751-L755 VanDerWaalsContact O-CB 3.26Å; R751-L755 WeakPolarHBondContact O-CB 3.38Å; R751-L755 PolarHBondContact O-N 3.02Å; P753-L755 PolarHBondContact O-N 3.18Å; L755-R759 WeakPolarHBondContact O-CB 3.2Å; L755-R759 WeakPolarHBondContact O-CD 3.5Å; L755-R759 WeakPolarHBondContact O-CG 3.26Å; L755-R759 PolarHBondContact O-N 3.35Å
756	A	87.2	Confident	90.8	Very high	42 Å²	42	39.7 Å²	39.7	35%	0.347	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-43.2	174.9	0	0	0	0	0	111.6	A752 P753 A754 R759 Q760	A752-A756 WeakPolarHBondContact O-CB 3.38Å; A752-A756 PolarHBondContact O-N 2.86Å; P753-A756 WeakPolarHBondContact O-CB 3.19Å; P753-A756 PolarHBondContact O-N 3.43Å; P753-A756 VanDerWaalsContact O-N 3.12Å; A754-A756 VanDerWaalsContact C-N 3.28Å; A754-A756 PolarHBondContact O-N 3.01Å; A756-R759 PolarHBondContact O-N 3Å; A756-Q760 WeakPolarHBondContact O-CG 3.2Å; A756-Q760 PolarHBondContact O-N 3.4Å
757	V	91.6	Very high	90.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-42	178.1	169.7	0	0	0	0	112.1	I719 A723 M738 P753 A754 R759 Q760 V762	I719-V757 HydrophobicContact CG2-CB 4.28Å; I719-V757 HydrophobicContact CG2-CG2 3.65Å; A723-V757 HydrophobicContact CB-CG2 3.67Å; M738-V757 HydrophobicContact CE-CG1 3.82Å; M738-V757 HydrophobicContact SD-CG1 4.23Å; P753-V757 PolarHBondContact O-N 3.3Å; A754-V757 PolarHBondContact O-N 3.23Å; A754-V757 VanDerWaalsContact O-N 3.11Å; V757-R759 VanDerWaalsContact C-N 3.29Å; V757-R759 PolarHBondContact O-N 3.36Å; V757-Q760 WeakPolarHBondContact O-CB 3.49Å; V757-Q760 PolarHBondContact O-N 3.28Å; V757-Q760 VanDerWaalsContact O-N 3.07Å; V757-V762 HydrophobicContact CG1-CB 3.57Å; V757-V762 HydrophobicContact CG1-CG1 3.8Å; V757-V762 HydrophobicContact CG1-CG2 3.96Å; V757-V762 PolarHBondContact O-N 2.83Å
758	H	85.8	Confident	90.9	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-40.8	174	-58.1	174.5	0	0	0	111.5	W122 A754 Q760 G761 I780 A781 T782	W122-H758 HydrophobicContact CH2-CB 3.61Å; W122-H758 AromaticContact CH2-ND1 3.71Å; W122-H758 HydrophobicContact CZ3-CB 3.67Å; A754-H758 PolarHBondContact O-CD2 3.19Å; A754-H758 PolarHBondContact O-N 3.28Å; H758-Q760 VanDerWaalsContact C-N 3.26Å; H758-Q760 PolarHBondContact O-N 3.11Å; H758-G761 PolarHBondContact O-N 2.85Å; H758-I780 PolarHBondContact NE2-O 3.36Å; H758-A781 PolarHBondContact CE1-O 3.38Å; H758-T782 HydrophobicContact CB-CG2 4.08Å; H758-T782 VanDerWaalsContact CD2-CG2 3.4Å; H758-T782 WeakPolarHBondContact CD2-CG2 3.39Å
759	R	84.8	Confident	90.9	Very high	100 Å²	100	29 Å²	29	38%	0.377	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-22.4	176.9	-74.4	167.5	178.5	-179.2	3.2	114	Y67 L119 L755 A756 V757 G761	Y67-R759 PolarHBondContact OH-NH2 3.43Å; L119-R759 HydrophobicContact CD1-CG 3.82Å; L755-R759 WeakPolarHBondContact O-CB 3.2Å; L755-R759 WeakPolarHBondContact O-CD 3.5Å; L755-R759 WeakPolarHBondContact O-CG 3.26Å; L755-R759 PolarHBondContact O-N 3.35Å; A756-R759 PolarHBondContact O-N 3Å; V757-R759 VanDerWaalsContact C-N 3.29Å; V757-R759 PolarHBondContact O-N 3.36Å; R759-G761 PolarHBondContact O-N 3.07Å
760	Q	85.1	Confident	90.8	Very high	99 Å²	99	27.2 Å²	27.2	46%	0.463	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	4.5	171	-64.6	178.3	23	0	0	112.6	A756 V757 H758 V762	A756-Q760 WeakPolarHBondContact O-CG 3.2Å; A756-Q760 PolarHBondContact O-N 3.4Å; V757-Q760 WeakPolarHBondContact O-CB 3.49Å; V757-Q760 PolarHBondContact O-N 3.28Å; V757-Q760 VanDerWaalsContact O-N 3.07Å; H758-Q760 VanDerWaalsContact C-N 3.26Å; H758-Q760 PolarHBondContact O-N 3.11Å; Q760-V762 VanDerWaalsContact C-N 3.33Å; Q760-V762 HydrophobicContact CB-CG2 4.29Å
761	G	85.8	Confident	90.4	Very high	38 Å²	38	37.7 Å²	37.7	39%	0.392	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	8.1	178.6	0	0	0	0	0	114.4	R735 H758 R759	R735-G761 PolarHBondContact NH1-O 2.7Å; R735-G761 PolarHBondContact NH2-O 3.17Å; H758-G761 PolarHBondContact O-N 2.85Å; R759-G761 PolarHBondContact O-N 3.07Å
762	V	91.7	Very high	90.6	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-77	132.8	176.6	-172.4	0	0	0	0	109.6	F727 K736 M738 V757 Q760	F727-V762 HydrophobicContact CB-CG2 4.25Å; F727-V762 HydrophobicContact CD1-CG1 4.32Å; F727-V762 HydrophobicContact CD1-CG2 4.07Å; F727-V762 HydrophobicContact CD2-CG1 4.3Å; F727-V762 HydrophobicContact CD2-CG2 4.22Å; F727-V762 HydrophobicContact CE1-CG1 3.92Å; F727-V762 HydrophobicContact CE1-CG2 4.49Å; F727-V762 HydrophobicContact CE2-CG1 3.9Å; F727-V762 HydrophobicContact CG-CG1 4.49Å; F727-V762 HydrophobicContact CG-CG2 3.91Å; F727-V762 HydrophobicContact CZ-CG1 3.68Å; K736-V762 HydrophobicContact CB-CB 4.22Å; K736-V762 HydrophobicContact CB-CG1 4.2Å; K736-V762 HydrophobicContact CB-CG2 3.9Å; K736-V762 HydrophobicContact CD-CG2 4Å; M738-V762 HydrophobicContact CB-CG1 3.84Å; V757-V762 HydrophobicContact CG1-CB 3.57Å; V757-V762 HydrophobicContact CG1-CG1 3.8Å; V757-V762 HydrophobicContact CG1-CG2 3.96Å; V757-V762 PolarHBondContact O-N 2.83Å; Q760-V762 VanDerWaalsContact C-N 3.33Å; Q760-V762 HydrophobicContact CB-CG2 4.29Å
763	I	91.8	Very high	90.7	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.2	166.3	-57.7	157.8	0	0	0	106.8	R735 K736 I737 M738 Y765 T782 E812	R735-I763 VanDerWaalsContact CZ-CD1 3.41Å; K736-I763 PolarHBondContact O-N 2.98Å; K736-I763 VanDerWaalsContact O-N 3.09Å; I737-I763 WeakPolarHBondContact CA-O 3.46Å; M738-I763 PolarHBondContact N-O 3.33Å; I763-Y765 HydrophobicContact CB-CE2 4.32Å; I763-Y765 HydrophobicContact CG2-CD2 3.86Å; I763-Y765 HydrophobicContact CG2-CE2 3.43Å; I763-Y765 VanDerWaalsContact CG2-CE2 3.43Å; I763-T782 WeakPolarHBondContact CG2-OG1 3.45Å; I763-E812 HydrophobicContact CD1-CB 4.3Å; I763-E812 HydrophobicContact CD1-CG 3.4Å; I763-E812 VanDerWaalsContact CD1-CG 3.4Å; I763-E812 HydrophobicContact CG1-CG 4.17Å
764	A	95	Very high	90.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.6	176	0	0	0	0	0	109.1	M738 I780 A781 T782	M738-A764 HydrophobicContact CE-CB 3.7Å; A764-I780 WeakPolarHBondContact CB-O 3.29Å; A764-A781 WeakPolarHBondContact O-CA 3.31Å; A764-T782 PolarHBondContact N-OG1 3.1Å; A764-T782 PolarHBondContact O-N 3.01Å; A764-T782 PolarHBondContact O-OG1 3.38Å
765	Y	97	Very high	89.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.1	166	-72.8	-112.8	0	0	0	108.1	I737 M738 I739 V740 I763 H788 F790 I805 N808 I809	I737-Y765 HydrophobicContact CG2-CD2 3.85Å; I737-Y765 HydrophobicContact CG2-CE2 3.97Å; M738-Y765 PolarHBondContact O-N 3.28Å; I739-Y765 HydrophobicContact CG1-CG 4.49Å; V740-Y765 PolarHBondContact N-O 3.31Å; I763-Y765 HydrophobicContact CB-CE2 4.32Å; I763-Y765 HydrophobicContact CG2-CD2 3.86Å; I763-Y765 HydrophobicContact CG2-CE2 3.43Å; I763-Y765 VanDerWaalsContact CG2-CE2 3.43Å; Y765-H788 CarbonylContact C-O 3.51Å; Y765-H788 VanDerWaalsContact CA-O 3.26Å; Y765-H788 WeakPolarHBondContact CA-O 3.49Å; Y765-H788 AromaticContact CE1-CD2 3.71Å; Y765-H788 AromaticContact CE2-CD2 3.7Å; Y765-H788 AromaticContact CZ-CD2 3.33Å; Y765-H788 AromaticContact CZ-NE2 3.9Å; Y765-H788 PolarHBondContact OH-CD2 2.7Å; Y765-H788 PolarHBondContact OH-NE2 2.76Å; Y765-F790 AromaticContact CD1-CE2 3.73Å; Y765-F790 HydrophobicContact CD1-CE2 3.73Å; Y765-F790 HydrophobicContact CE1-CE2 4.16Å; Y765-I805 HydrophobicContact CD1-CG2 4.13Å; Y765-I805 HydrophobicContact CE1-CG2 4.21Å; Y765-N808 HydrophobicContact CE1-CB 4.27Å; Y765-N808 PolarHBondContact OH-O 3.2Å; Y765-I809 HydrophobicContact CE1-CG1 3.94Å; Y765-I809 HydrophobicContact CE2-CG1 3.8Å; Y765-I809 VanDerWaalsContact CZ-CG1 3.4Å; Y765-I809 WeakPolarHBondContact OH-CA 3.38Å; Y765-I809 WeakPolarHBondContact OH-CG1 3.41Å; Y765-I809 PolarHBondContact OH-N 2.91Å; Y765-I809 VanDerWaalsContact OH-N 3.08Å
766	S	95.9	Very high	89.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.2	175.1	54.1	0	0	0	0	110	V740 L777 H788 S789 F790	V740-S766 CarbonylContact O-C 3.59Å; V740-S766 WeakPolarHBondContact O-CA 3.48Å; S766-L777 WeakPolarHBondContact CB-O 3.22Å; S766-L777 PolarHBondContact OG-O 2.99Å; S766-H788 PolarHBondContact N-O 2.8Å; S766-S789 WeakPolarHBondContact OG-CA 3.26Å; S766-S789 PolarHBondContact OG-OG 2.94Å; S766-F790 PolarHBondContact O-N 3.07Å
767	I	97.1	Very high	90.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	98.9	-176.9	-53	-178.5	0	0	0	107.2	F658 I739 V740 I741 T742 F790 V792 L798 I805	F658-I767 HydrophobicContact CE1-CD1 3.51Å; F658-I767 HydrophobicContact CE2-CD1 4.48Å; F658-I767 HydrophobicContact CZ-CD1 3.36Å; I739-I767 HydrophobicContact CG2-CD1 3.56Å; I739-I767 HydrophobicContact CG2-CG1 4.22Å; V740-I767 PolarHBondContact O-N 2.94Å; I741-I767 WeakPolarHBondContact CA-O 3.47Å; I741-I767 HydrophobicContact CG1-CB 4.41Å; I741-I767 HydrophobicContact CG1-CD1 4.47Å; T742-I767 PolarHBondContact N-O 3.23Å; I767-F790 WeakPolarHBondContact CA-O 3.42Å; I767-F790 HydrophobicContact CG1-CB 4.42Å; I767-V792 HydrophobicContact CG2-CG2 4.27Å; I767-L798 HydrophobicContact CG2-CD2 3.76Å; I767-I805 HydrophobicContact CD1-CD1 3.65Å; I767-I805 HydrophobicContact CG1-CD1 4.46Å
768	G	95.3	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.4	174.2	0	0	0	0	0	111.3	T742 F790 F791 V792	T742-G768 CarbonylContact O-C 3.54Å; T742-G768 WeakPolarHBondContact O-CA 3.35Å; G768-F790 PolarHBondContact N-O 3.47Å; G768-F791 CarbonylContact O-C 3.56Å; G768-F791 WeakPolarHBondContact O-CA 3.32Å; G768-V792 PolarHBondContact O-N 3.01Å
769	I	94.8	Very high	89.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.3	-179	-49.9	163	0	0	0	108.6	V655 I741 T742 D743 W771 A772 V792 F795 L798	V655-I769 HydrophobicContact CG2-CD1 4.09Å; I741-I769 HydrophobicContact CG2-CD1 3.76Å; T742-I769 PolarHBondContact O-N 3.49Å; D743-I769 CarbonylContact C-O 3.51Å; D743-I769 WeakPolarHBondContact CA-O 3.41Å; D743-I769 HydrophobicContact CB-CB 4.3Å; D743-I769 VanDerWaalsContact O-O 3.14Å; I769-W771 PolarHBondContact O-N 3.31Å; I769-A772 WeakPolarHBondContact O-CB 3.39Å; I769-A772 PolarHBondContact O-N 2.57Å; I769-V792 CarbonylContact C-O 3.6Å; I769-V792 VanDerWaalsContact CA-O 3.31Å; I769-V792 WeakPolarHBondContact CA-O 3.27Å; I769-F795 HydrophobicContact CB-CD1 4.43Å; I769-F795 HydrophobicContact CB-CE1 4.18Å; I769-F795 HydrophobicContact CB-CZ 4.34Å; I769-F795 HydrophobicContact CD1-CD1 3.63Å; I769-F795 HydrophobicContact CD1-CE1 3.51Å; I769-F795 HydrophobicContact CD1-CZ 4.43Å; I769-F795 HydrophobicContact CG1-CE1 4.44Å; I769-F795 HydrophobicContact CG2-CB 4.4Å; I769-F795 HydrophobicContact CG2-CD1 3.73Å; I769-F795 HydrophobicContact CG2-CD2 3.8Å; I769-F795 HydrophobicContact CG2-CE1 3.86Å; I769-F795 HydrophobicContact CG2-CE2 3.93Å; I769-F795 HydrophobicContact CG2-CG 3.71Å; I769-F795 HydrophobicContact CG2-CZ 3.96Å; I769-L798 HydrophobicContact CD1-CD1 3.87Å; I769-L798 HydrophobicContact CD1-CD2 3.99Å; I769-L798 HydrophobicContact CD1-CG 4.27Å; I769-L798 HydrophobicContact CG1-CD2 4.09Å
770	A	89.8	Confident	90.3	Very high	30 Å²	30	30 Å²	30	25%	0.248	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-82.2	171.5	0	0	0	0	0	116.4	F791 V792	A770-F791 WeakPolarHBondContact O-CZ 3.38Å; A770-V792 PolarHBondContact N-O 3.12Å
771	W	84.9	Confident	90.7	Very high	225 Å²	225	25.4 Å²	25.4	85%	0.852	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	6.2	-175.3	-56.7	104.2	0	0	0	113.8	D743 I769	D743-W771 CarbonylContact O-C 3.51Å; D743-W771 VanDerWaalsContact O-C 3.26Å; D743-W771 WeakPolarHBondContact O-CA 3.27Å; D743-W771 PolarHBondContact O-N 2.83Å; I769-W771 PolarHBondContact O-N 3.31Å
772	A	91.1	Very high	90.8	Very high	6 Å²	6	23.7 Å²	23.7	5%	0.05	11%	0.111	C	C	.	.			trans	-57.7	137.1	-179.2	0	0	0	0	0	113.5	T742 D743 G744 I769 Q774 L777 F791	T742-A772 HydrophobicContact CG2-CB 4.23Å; D743-A772 PolarHBondContact O-N 3.23Å; D743-A772 VanDerWaalsContact O-N 3.07Å; G744-A772 WeakPolarHBondContact O-CA 3.5Å; I769-A772 WeakPolarHBondContact O-CB 3.39Å; I769-A772 PolarHBondContact O-N 2.57Å; A772-Q774 PolarHBondContact O-N 3.09Å; A772-Q774 VanDerWaalsContact O-N 3.1Å; A772-L777 HydrophobicContact CB-CD1 4.38Å; A772-F791 HydrophobicContact CB-CE2 4.47Å; A772-F791 WeakPolarHBondContact O-CE2 3.28Å
773	A	88.8	Confident	90	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	11%	0.111	C	C	.	.			trans	-72.8	101.7	-178.6	0	0	0	0	0	111.8	G744 R745 D775 E776 L777	G744-A773 PolarHBondContact O-N 2.61Å; R745-A773 HydrophobicContact CB-CB 4.1Å; A773-D775 PolarHBondContact O-N 3.46Å; A773-D775 VanDerWaalsContact O-N 3.12Å; A773-E776 HydrophobicContact CB-CB 4.03Å; A773-E776 HydrophobicContact CB-CG 4.1Å; A773-E776 WeakPolarHBondContact O-CA 2.99Å; A773-E776 WeakPolarHBondContact O-CB 3.16Å; A773-E776 PolarHBondContact O-N 2.95Å; A773-L777 WeakPolarHBondContact O-CG 3.33Å; A773-L777 PolarHBondContact O-N 2.89Å
774	Q	84.4	Confident	89.2	Confident	47 Å²	47	25.3 Å²	25.3	22%	0.22	12%	0.121	C	C	.	.	H	α-helix	trans	-55	-34.7	-176.4	-172.3	-178.1	-9.7	0	0	113	P147 A772 E776 L777 E778	P147-Q774 PolarHBondContact O-NE2 3.17Å; A772-Q774 PolarHBondContact O-N 3.09Å; A772-Q774 VanDerWaalsContact O-N 3.1Å; Q774-E776 VanDerWaalsContact C-N 3.35Å; Q774-E776 PolarHBondContact O-N 3.38Å; Q774-L777 PolarHBondContact O-N 3.3Å; Q774-E778 PolarHBondContact NE2-OE1 3.48Å; Q774-E778 VanDerWaalsContact NE2-OE1 3.12Å; Q774-E778 WeakPolarHBondContact O-CG 3.48Å; Q774-E778 PolarHBondContact O-N 3.43Å
775	D	82.4	Confident	88	Confident	76 Å²	76	25.6 Å²	25.6	41%	0.406	12%	0.123	S	C	.	.	H	α-helix	trans	-64.2	-36.7	176.1	58.5	-56.4	0	0	0	112.9	R745 A773 Y779	R745-D775 IonicContact NH2-OD1 3.44Å; R745-D775 PolarHBondContact NH2-OD1 2.83Å; R745-D775 VanDerWaalsContact NH2-OD1 3.08Å; R745-D775 IonicContact NH2-OD2 3.71Å; R745-D775 PolarHBondContact NH2-OD2 3.26Å; A773-D775 PolarHBondContact O-N 3.46Å; A773-D775 VanDerWaalsContact O-N 3.12Å; D775-Y779 WeakPolarHBondContact O-CD2 3.27Å; D775-Y779 PolarHBondContact O-N 2.63Å
776	E	88.6	Confident	86.6	Confident	29 Å²	29	28.3 Å²	28.3	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-71.6	-39.7	173.6	-74.3	160.9	-141.1	0	0	111.6	R745 S746 V750 A773 Q774 E778 Y779 I780	R745-E776 WeakPolarHBondContact CG-OE1 3.23Å; R745-E776 IonicContact CZ-OE1 3.36Å; R745-E776 IonicContact NE-OE1 3.87Å; R745-E776 PolarHBondContact NE-OE1 2.8Å; R745-E776 IonicContact NH2-OE1 2.64Å; R745-E776 PolarHBondContact NH2-OE1 2.93Å; S746-E776 PolarHBondContact N-OE2 3Å; V750-E776 HydrophobicContact CG2-CB 3.99Å; V750-E776 HydrophobicContact CG2-CG 3.95Å; A773-E776 HydrophobicContact CB-CB 4.03Å; A773-E776 HydrophobicContact CB-CG 4.1Å; A773-E776 WeakPolarHBondContact O-CA 2.99Å; A773-E776 WeakPolarHBondContact O-CB 3.16Å; A773-E776 PolarHBondContact O-N 2.95Å; Q774-E776 VanDerWaalsContact C-N 3.35Å; Q774-E776 PolarHBondContact O-N 3.38Å; E776-E778 VanDerWaalsContact C-N 3.3Å; E776-E778 PolarHBondContact O-N 3.46Å; E776-Y779 PolarHBondContact O-N 3.02Å; E776-I780 VanDerWaalsContact O-CG1 3.26Å; E776-I780 WeakPolarHBondContact O-CG1 3.5Å; E776-I780 PolarHBondContact O-N 3.29Å
777	L	91.6	Very high	85.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-43.1	174.1	-56	173.8	0	0	0	111.5	T742 S766 A772 A773 Q774 Y779 I780 A781 S789 F791	T742-L777 HydrophobicContact CG2-CD2 3.68Å; S766-L777 WeakPolarHBondContact CB-O 3.22Å; S766-L777 PolarHBondContact OG-O 2.99Å; A772-L777 HydrophobicContact CB-CD1 4.38Å; A773-L777 WeakPolarHBondContact O-CG 3.33Å; A773-L777 PolarHBondContact O-N 2.89Å; Q774-L777 PolarHBondContact O-N 3.3Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 2.86Å; L777-I780 PolarHBondContact O-N 3.32Å; L777-A781 VanDerWaalsContact O-CB 3.29Å; L777-A781 WeakPolarHBondContact O-CB 3.45Å; L777-A781 PolarHBondContact O-N 2.88Å; L777-S789 VanDerWaalsContact CB-OG 3.29Å; L777-S789 WeakPolarHBondContact CB-OG 3.35Å; L777-F791 HydrophobicContact CD1-CD2 4.09Å
778	E	86.7	Confident	85.5	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-28.7	175.5	-72.8	175.6	-160.7	0	0	113.1	K45 Q774 E776 D785	K45-E778 IonicContact NZ-OE2 2.89Å; K45-E778 PolarHBondContact NZ-OE2 3.05Å; Q774-E778 PolarHBondContact NE2-OE1 3.48Å; Q774-E778 VanDerWaalsContact NE2-OE1 3.12Å; Q774-E778 WeakPolarHBondContact O-CG 3.48Å; Q774-E778 PolarHBondContact O-N 3.43Å; E776-E778 VanDerWaalsContact C-N 3.3Å; E776-E778 PolarHBondContact O-N 3.46Å; E778-D785 HydrophobicContact CB-CB 4.44Å; E778-D785 HydrophobicContact CG-CB 4.3Å
779	Y	86.5	Confident	85.4	Confident	46 Å²	46	32.5 Å²	32.5	18%	0.18	16%	0.156	C	C	.	.	H	α-helix	trans	-79.9	-31.6	173.3	-73.4	-54.4	0	0	0	113.8	R751 A754 D775 E776 L777	R751-Y779 HydrophobicContact CG-CD1 4.15Å; R751-Y779 HydrophobicContact CG-CD2 3.81Å; R751-Y779 HydrophobicContact CG-CE2 4.38Å; R751-Y779 HydrophobicContact CG-CG 3.71Å; A754-Y779 VanDerWaalsContact CB-O 3.28Å; A754-Y779 WeakPolarHBondContact CB-O 3.48Å; D775-Y779 WeakPolarHBondContact O-CD2 3.27Å; D775-Y779 PolarHBondContact O-N 2.63Å; E776-Y779 PolarHBondContact O-N 3.02Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 2.86Å
780	I	92.6	Very high	85.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-43.3	174.9	-66.1	165.3	0	0	0	110.1	T715 I719 V740 V750 H758 A764 E776 L777	T715-I780 HydrophobicContact CG2-CD1 3.77Å; I719-I780 HydrophobicContact CD1-CB 4.4Å; I719-I780 HydrophobicContact CD1-CD1 4.15Å; I719-I780 HydrophobicContact CD1-CG1 3.76Å; I719-I780 HydrophobicContact CD1-CG2 3.87Å; V740-I780 HydrophobicContact CB-CG2 4.07Å; V740-I780 HydrophobicContact CG2-CG2 3.77Å; V750-I780 HydrophobicContact CB-CD1 4.17Å; V750-I780 HydrophobicContact CB-CG1 3.87Å; V750-I780 HydrophobicContact CG1-CD1 4.17Å; V750-I780 HydrophobicContact CG1-CG1 4.42Å; V750-I780 HydrophobicContact CG2-CD1 4.37Å; V750-I780 HydrophobicContact CG2-CG1 3.99Å; H758-I780 PolarHBondContact NE2-O 3.36Å; A764-I780 WeakPolarHBondContact CB-O 3.29Å; E776-I780 VanDerWaalsContact O-CG1 3.26Å; E776-I780 WeakPolarHBondContact O-CG1 3.5Å; E776-I780 PolarHBondContact O-N 3.29Å; L777-I780 PolarHBondContact O-N 3.32Å
781	A	92.3	Very high	85.4	Confident	3 Å²	3	34 Å²	34	3%	0.025	16%	0.157	C	C	.	.	S	Bend	trans	-57.5	139.9	177.4	0	0	0	0	0	111.9	H758 A764 L777 H788	H758-A781 PolarHBondContact CE1-O 3.38Å; A764-A781 WeakPolarHBondContact O-CA 3.31Å; L777-A781 VanDerWaalsContact O-CB 3.29Å; L777-A781 WeakPolarHBondContact O-CB 3.45Å; L777-A781 PolarHBondContact O-N 2.88Å; A781-H788 HydrophobicContact CB-CB 4.03Å
782	T	88.1	Confident	85.8	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-70.7	142.7	160.2	22.1	0	0	0	0	110.1	H758 I763 A764 H788	H758-T782 HydrophobicContact CB-CG2 4.08Å; H758-T782 VanDerWaalsContact CD2-CG2 3.4Å; H758-T782 WeakPolarHBondContact CD2-CG2 3.39Å; I763-T782 WeakPolarHBondContact CG2-OG1 3.45Å; A764-T782 PolarHBondContact N-OG1 3.1Å; A764-T782 PolarHBondContact O-N 3.01Å; A764-T782 PolarHBondContact O-OG1 3.38Å; T782-H788 WeakPolarHBondContact O-CB 3.39Å; T782-H788 PolarHBondContact O-ND1 3.29Å
783	D	75.2	Confident	85.6	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.027	14%	0.138	C	C	.	.	S	Bend	trans	-58.5	159.9	171.6	1.7	-154.6	0	0	0	111.7	S74 W122 R123 D785 H788	S74-D783 PolarHBondContact OG-OD1 2.82Å; W122-D783 WeakPolarHBondContact CZ2-OD2 3.39Å; W122-D783 PolarHBondContact NE1-OD2 3.38Å; R123-D783 VanDerWaalsContact CD-C 3.49Å; R123-D783 WeakPolarHBondContact CD-O 3.27Å; R123-D783 IonicContact CZ-OD2 2.69Å; R123-D783 VanDerWaalsContact CZ-OD2 3.23Å; R123-D783 PolarHBondContact NE-O 3.37Å; R123-D783 IonicContact NE-OD2 3.63Å; R123-D783 PolarHBondContact NE-OD2 3.47Å; R123-D783 PolarHBondContact NH1-O 3.07Å; R123-D783 IonicContact NH2-OD2 2.76Å; R123-D783 PolarHBondContact NH2-OD2 2.95Å; D783-D785 VanDerWaalsContact CA-OD1 3.31Å; D783-D785 WeakPolarHBondContact CA-OD1 3.31Å; D783-D785 WeakPolarHBondContact CB-OD1 3.39Å; D783-H788 PolarHBondContact O-ND1 2.94Å
784	P	75.1	Confident	85.7	Confident	35 Å²	35	32.6 Å²	32.6	23%	0.227	16%	0.161	C	C	.	.	S	Bend	cis	-67.6	124.1	-14.3	29.6	-32.1	0	0	0	110.1	K786 E787	P784-K786 PolarHBondContact O-N 3.09Å; P784-E787 HydrophobicContact CG-CB 4.1Å; P784-E787 HydrophobicContact CG-CG 3.95Å; P784-E787 PolarHBondContact O-N 3.42Å
785	D	70	Confident	86	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-30.7	-165.7	-41.4	-5.3	0	0	0	111.4	K45 E778 D783 E787 H788 S789	K45-D785 WeakPolarHBondContact CE-OD2 3.38Å; K45-D785 WeakPolarHBondContact CG-OD2 3.13Å; E778-D785 HydrophobicContact CB-CB 4.44Å; E778-D785 HydrophobicContact CG-CB 4.3Å; D783-D785 VanDerWaalsContact CA-OD1 3.31Å; D783-D785 WeakPolarHBondContact CA-OD1 3.31Å; D783-D785 WeakPolarHBondContact CB-OD1 3.39Å; D785-E787 PolarHBondContact O-N 2.6Å; D785-H788 PolarHBondContact O-N 3.19Å; D785-S789 WeakPolarHBondContact O-CA 3.49Å; D785-S789 WeakPolarHBondContact O-CB 3.22Å; D785-S789 PolarHBondContact O-N 2.85Å
786	K	68.2	Low	86.3	Confident	58 Å²	58	34.9 Å²	34.9	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-61.9	-17.6	176.5	-58.1	168.3	92.5	147.3	0	114.5	N47 D144 Y145 A146 P784	N47-K786 VanDerWaalsContact CG-NZ 3.32Å; N47-K786 WeakPolarHBondContact ND2-CE 3.19Å; N47-K786 PolarHBondContact ND2-NZ 3.01Å; N47-K786 WeakPolarHBondContact OD1-CD 3.33Å; N47-K786 PolarHBondContact OD1-NZ 3.15Å; D144-K786 IonicContact OD1-NZ 2.78Å; D144-K786 PolarHBondContact OD1-NZ 3.44Å; D144-K786 IonicContact OD2-NZ 3.9Å; Y145-K786 PolarHBondContact O-NZ 3.48Å; A146-K786 HydrophobicContact CB-CD 4.04Å; A146-K786 HydrophobicContact CB-CG 3.77Å; P784-K786 PolarHBondContact O-N 3.09Å
787	E	80.4	Confident	86.5	Confident	69 Å²	69	34.4 Å²	34.4	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-107	-17.3	-179.1	-62.1	-177.4	179.6	0	0	113.2	P784 D785 F790 N808 Q811	P784-E787 HydrophobicContact CG-CB 4.1Å; P784-E787 HydrophobicContact CG-CG 3.95Å; P784-E787 PolarHBondContact O-N 3.42Å; D785-E787 PolarHBondContact O-N 2.6Å; E787-F790 WeakPolarHBondContact O-CE2 3.05Å; E787-F790 VanDerWaalsContact O-CZ 3.3Å; E787-F790 WeakPolarHBondContact O-CZ 3.48Å; E787-N808 PolarHBondContact O-ND2 3.42Å; E787-Q811 PolarHBondContact OE2-NE2 2.8Å; E787-Q811 VanDerWaalsContact OE2-NE2 3.12Å
788	H	89.7	Confident	86.5	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-117.2	-18.1	-178.2	-60.8	132.4	0	0	0	113.8	Y765 S766 A781 T782 D783 D785 F790	Y765-H788 CarbonylContact C-O 3.51Å; Y765-H788 VanDerWaalsContact CA-O 3.26Å; Y765-H788 WeakPolarHBondContact CA-O 3.49Å; Y765-H788 AromaticContact CE1-CD2 3.71Å; Y765-H788 AromaticContact CE2-CD2 3.7Å; Y765-H788 AromaticContact CZ-CD2 3.33Å; Y765-H788 AromaticContact CZ-NE2 3.9Å; Y765-H788 PolarHBondContact OH-CD2 2.7Å; Y765-H788 PolarHBondContact OH-NE2 2.76Å; S766-H788 PolarHBondContact N-O 2.8Å; A781-H788 HydrophobicContact CB-CB 4.03Å; T782-H788 WeakPolarHBondContact O-CB 3.39Å; T782-H788 PolarHBondContact O-ND1 3.29Å; D783-H788 PolarHBondContact O-ND1 2.94Å; D785-H788 PolarHBondContact O-N 3.19Å; H788-F790 WeakPolarHBondContact O-CD2 3.43Å
789	S	93.4	Very high	86.7	Confident	18 Å²	18	39.7 Å²	39.7	13%	0.126	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.6	172	-172.3	0	0	0	0	111	S766 L777 D785	S766-S789 WeakPolarHBondContact OG-CA 3.26Å; S766-S789 PolarHBondContact OG-OG 2.94Å; L777-S789 VanDerWaalsContact CB-OG 3.29Å; L777-S789 WeakPolarHBondContact CB-OG 3.35Å; D785-S789 WeakPolarHBondContact O-CA 3.49Å; D785-S789 WeakPolarHBondContact O-CB 3.22Å; D785-S789 PolarHBondContact O-N 2.85Å
790	F	92.4	Very high	86.9	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.3	-178.3	-61.1	-92.6	0	0	0	109.4	Y765 S766 I767 G768 E787 H788 Y801 K804 I805	Y765-F790 AromaticContact CD1-CE2 3.73Å; Y765-F790 HydrophobicContact CD1-CE2 3.73Å; Y765-F790 HydrophobicContact CE1-CE2 4.16Å; S766-F790 PolarHBondContact O-N 3.07Å; I767-F790 WeakPolarHBondContact CA-O 3.42Å; I767-F790 HydrophobicContact CG1-CB 4.42Å; G768-F790 PolarHBondContact N-O 3.47Å; E787-F790 WeakPolarHBondContact O-CE2 3.05Å; E787-F790 VanDerWaalsContact O-CZ 3.3Å; E787-F790 WeakPolarHBondContact O-CZ 3.48Å; H788-F790 WeakPolarHBondContact O-CD2 3.43Å; F790-Y801 AromaticContact CD1-CD1 3.61Å; F790-Y801 HydrophobicContact CD1-CD1 3.61Å; F790-Y801 HydrophobicContact CD1-CE1 4.1Å; F790-Y801 HydrophobicContact CE1-CD1 4.33Å; F790-Y801 HydrophobicContact CG-CD1 4.49Å; F790-K804 HydrophobicContact CE1-CB 4.47Å; F790-K804 HydrophobicContact CE1-CD 3.76Å; F790-K804 HydrophobicContact CE1-CG 3.97Å; F790-I805 HydrophobicContact CD1-CG1 4.33Å; F790-I805 HydrophobicContact CD2-CG1 4.22Å; F790-I805 HydrophobicContact CE1-CG1 3.92Å; F790-I805 HydrophobicContact CE2-CG1 3.86Å; F790-I805 HydrophobicContact CG-CG1 4.45Å; F790-I805 HydrophobicContact CZ-CG1 3.69Å
791	F	91.9	Very high	86.9	Confident	58 Å²	58	47.9 Å²	47.9	25%	0.254	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	172.4	-173.3	-91.3	0	0	0	109.6	G768 A770 A772 L777 Y801	G768-F791 CarbonylContact O-C 3.56Å; G768-F791 WeakPolarHBondContact O-CA 3.32Å; A770-F791 WeakPolarHBondContact O-CZ 3.38Å; A772-F791 HydrophobicContact CB-CE2 4.47Å; A772-F791 WeakPolarHBondContact O-CE2 3.28Å; L777-F791 HydrophobicContact CD1-CD2 4.09Å; F791-Y801 PolarHBondContact O-OH 3.37Å
792	V	92.2	Very high	87	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.1	-174	-168.3	0	0	0	0	108.4	I767 G768 I769 A770 E794 N797 L798 Y801	I767-V792 HydrophobicContact CG2-CG2 4.27Å; G768-V792 PolarHBondContact O-N 3.01Å; I769-V792 CarbonylContact C-O 3.6Å; I769-V792 VanDerWaalsContact CA-O 3.31Å; I769-V792 WeakPolarHBondContact CA-O 3.27Å; A770-V792 PolarHBondContact N-O 3.12Å; V792-E794 VanDerWaalsContact CG1-O 3.27Å; V792-E794 WeakPolarHBondContact CG1-O 3.3Å; V792-E794 PolarHBondContact O-N 2.58Å; V792-N797 HydrophobicContact CG1-CB 3.75Å; V792-L798 HydrophobicContact CG2-CD2 4.21Å; V792-Y801 HydrophobicContact CB-CE2 4.18Å; V792-Y801 HydrophobicContact CG1-CD2 4.24Å; V792-Y801 HydrophobicContact CG1-CE2 3.93Å; V792-Y801 HydrophobicContact CG2-CD2 3.68Å; V792-Y801 HydrophobicContact CG2-CE2 3.59Å; V792-Y801 HydrophobicContact CG2-CG 4.37Å
793	D	87.8	Confident	87.1	Confident	94 Å²	94	52.4 Å²	52.4	50%	0.503	25%	0.247	S	C	.	.	S	Bend	trans	-62.7	-28	-172.6	-54.9	-69	0	0	0	112.9	R149	R149-D793 IonicContact NH1-OD1 2.68Å
794	E	89.1	Confident	87.9	Confident	119 Å²	119	56.6 Å²	56.6	56%	0.556	27%	0.265	S	S	*	.	S	Bend	trans	-145.5	145	-176.9	-52.5	165.4	148	0	0	111.1	V792 E796 N797	V792-E794 VanDerWaalsContact CG1-O 3.27Å; V792-E794 WeakPolarHBondContact CG1-O 3.3Å; V792-E794 PolarHBondContact O-N 2.58Å; E794-E796 VanDerWaalsContact C-N 3.28Å; E794-E796 PolarHBondContact O-N 3.34Å; E794-N797 PolarHBondContact O-N 2.86Å; E794-N797 PolarHBondContact OE2-ND2 3.2Å
795	F	91.6	Very high	88.7	Confident	19 Å²	19	54.9 Å²	54.9	8%	0.083	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.1	-179.8	-73.4	-88.4	0	0	0	113.8	V647 N651 T654 V655 D743 I769 N797 L798	V647-F795 HydrophobicContact CB-CZ 4.45Å; V647-F795 HydrophobicContact CG1-CE1 3.95Å; V647-F795 HydrophobicContact CG1-CZ 4.07Å; V647-F795 HydrophobicContact CG2-CZ 4.49Å; N651-F795 HydrophobicContact CB-CB 4.34Å; N651-F795 HydrophobicContact CB-CD1 3.66Å; N651-F795 HydrophobicContact CB-CD2 3.71Å; N651-F795 HydrophobicContact CB-CE1 3.76Å; N651-F795 HydrophobicContact CB-CE2 3.81Å; N651-F795 HydrophobicContact CB-CG 3.64Å; N651-F795 HydrophobicContact CB-CZ 3.82Å; N651-F795 WeakPolarHBondContact OD1-CD2 3.5Å; T654-F795 HydrophobicContact CG2-CB 4.27Å; T654-F795 WeakPolarHBondContact CG2-O 3.47Å; V655-F795 HydrophobicContact CG2-CD1 3.84Å; V655-F795 HydrophobicContact CG2-CE1 3.84Å; D743-F795 HydrophobicContact CB-CE1 4.29Å; D743-F795 HydrophobicContact CB-CE2 4.43Å; D743-F795 HydrophobicContact CB-CZ 3.59Å; I769-F795 HydrophobicContact CB-CD1 4.43Å; I769-F795 HydrophobicContact CB-CE1 4.18Å; I769-F795 HydrophobicContact CB-CZ 4.34Å; I769-F795 HydrophobicContact CD1-CD1 3.63Å; I769-F795 HydrophobicContact CD1-CE1 3.51Å; I769-F795 HydrophobicContact CD1-CZ 4.43Å; I769-F795 HydrophobicContact CG1-CE1 4.44Å; I769-F795 HydrophobicContact CG2-CB 4.4Å; I769-F795 HydrophobicContact CG2-CD1 3.73Å; I769-F795 HydrophobicContact CG2-CD2 3.8Å; I769-F795 HydrophobicContact CG2-CE1 3.86Å; I769-F795 HydrophobicContact CG2-CE2 3.93Å; I769-F795 HydrophobicContact CG2-CG 3.71Å; I769-F795 HydrophobicContact CG2-CZ 3.96Å; F795-N797 PolarHBondContact O-N 2.93Å; F795-L798 HydrophobicContact CD1-CD1 4.43Å; F795-L798 VanDerWaalsContact O-CB 3.32Å; F795-L798 WeakPolarHBondContact O-CB 3.45Å; F795-L798 WeakPolarHBondContact O-CD1 3.37Å; F795-L798 VanDerWaalsContact O-CG 3.3Å; F795-L798 WeakPolarHBondContact O-CG 3.25Å; F795-L798 PolarHBondContact O-N 3.1Å
796	E	89.8	Confident	89.7	Confident	151 Å²	151	55.4 Å²	55.4	71%	0.706	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.9	179	-65.2	-169.4	-176.1	0	0	112.8	E794 L798 Y799	E794-E796 VanDerWaalsContact C-N 3.28Å; E794-E796 PolarHBondContact O-N 3.34Å; E796-L798 VanDerWaalsContact C-N 3.29Å; E796-L798 PolarHBondContact O-N 3.44Å; E796-Y799 WeakPolarHBondContact O-CE1 3.32Å; E796-Y799 WeakPolarHBondContact O-CD1 3.37Å
797	N	92.1	Very high	90.6	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.107	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-81.1	-4.9	-178.5	-66.9	-52.9	0	0	0	113.9	V792 E794 F795 Y799 R800	V792-N797 HydrophobicContact CG1-CB 3.75Å; E794-N797 PolarHBondContact O-N 2.86Å; E794-N797 PolarHBondContact OE2-ND2 3.2Å; F795-N797 PolarHBondContact O-N 2.93Å; N797-Y799 PolarHBondContact O-N 2.88Å; N797-Y799 VanDerWaalsContact C-N 3.28Å; N797-R800 WeakPolarHBondContact O-CB 3.46Å; N797-R800 PolarHBondContact O-N 2.9Å; N797-R800 VanDerWaalsContact O-N 3.11Å; N797-R800 PolarHBondContact OD1-NE 3.25Å; N797-R800 PolarHBondContact OD1-NH1 3.46Å; N797-R800 PolarHBondContact OD1-NH2 3.41Å
798	L	91.3	Very high	91	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-51.8	-41	-179.2	-84.2	170.1	0	0	0	113.7	V655 F658 I767 I769 V792 F795 E796 R800 Y801	V655-L798 HydrophobicContact CG2-CD1 4.19Å; F658-L798 HydrophobicContact CB-CB 3.99Å; F658-L798 HydrophobicContact CB-CD1 3.98Å; F658-L798 HydrophobicContact CB-CG 4.48Å; F658-L798 HydrophobicContact CD1-CD2 4.47Å; F658-L798 HydrophobicContact CD2-CB 3.79Å; F658-L798 HydrophobicContact CD2-CD2 4.21Å; F658-L798 WeakPolarHBondContact CD2-O 3.38Å; F658-L798 HydrophobicContact CG-CB 4.03Å; F658-L798 HydrophobicContact CG-CD1 4.3Å; F658-L798 HydrophobicContact CG-CD2 4.19Å; F658-L798 HydrophobicContact CG-CG 4.43Å; I767-L798 HydrophobicContact CG2-CD2 3.76Å; I769-L798 HydrophobicContact CD1-CD1 3.87Å; I769-L798 HydrophobicContact CD1-CD2 3.99Å; I769-L798 HydrophobicContact CD1-CG 4.27Å; I769-L798 HydrophobicContact CG1-CD2 4.09Å; V792-L798 HydrophobicContact CG2-CD2 4.21Å; F795-L798 HydrophobicContact CD1-CD1 4.43Å; F795-L798 VanDerWaalsContact O-CB 3.32Å; F795-L798 WeakPolarHBondContact O-CB 3.45Å; F795-L798 WeakPolarHBondContact O-CD1 3.37Å; F795-L798 VanDerWaalsContact O-CG 3.3Å; F795-L798 WeakPolarHBondContact O-CG 3.25Å; F795-L798 PolarHBondContact O-N 3.1Å; E796-L798 VanDerWaalsContact C-N 3.29Å; E796-L798 PolarHBondContact O-N 3.44Å; L798-R800 PolarHBondContact O-N 3.21Å; L798-R800 VanDerWaalsContact O-N 3.17Å; L798-Y801 PolarHBondContact O-N 3.46Å; L798-Y801 VanDerWaalsContact O-N 3.14Å
799	Y	90.3	Very high	90.9	Very high	122 Å²	122	55.4 Å²	55.4	48%	0.478	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.4	-29.6	-177	73.5	-88.8	0	0	0	112.8	E796 N797 Y801 V802	E796-Y799 WeakPolarHBondContact O-CE1 3.32Å; E796-Y799 WeakPolarHBondContact O-CD1 3.37Å; N797-Y799 PolarHBondContact O-N 2.88Å; N797-Y799 VanDerWaalsContact C-N 3.28Å; Y799-Y801 PolarHBondContact O-N 2.87Å; Y799-V802 PolarHBondContact O-N 3.02Å
800	R	91.6	Very high	90.6	Very high	153 Å²	153	55.6 Å²	55.6	58%	0.577	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.4	-22.9	-178.7	-58.2	-178.2	-178.1	169.3	8.3	112.5	N797 L798	N797-R800 WeakPolarHBondContact O-CB 3.46Å; N797-R800 PolarHBondContact O-N 2.9Å; N797-R800 VanDerWaalsContact O-N 3.11Å; N797-R800 PolarHBondContact OD1-NE 3.25Å; N797-R800 PolarHBondContact OD1-NH1 3.46Å; N797-R800 PolarHBondContact OD1-NH2 3.41Å; L798-R800 PolarHBondContact O-N 3.21Å; L798-R800 VanDerWaalsContact O-N 3.17Å
801	Y	92.2	Very high	90	Very high	66 Å²	66	59.2 Å²	59.2	26%	0.259	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-89.7	-15.5	-179.4	-73	-85.2	0	0	0	113.8	F790 F791 V792 L798 Y799 K804 I805	F790-Y801 AromaticContact CD1-CD1 3.61Å; F790-Y801 HydrophobicContact CD1-CD1 3.61Å; F790-Y801 HydrophobicContact CD1-CE1 4.1Å; F790-Y801 HydrophobicContact CE1-CD1 4.33Å; F790-Y801 HydrophobicContact CG-CD1 4.49Å; F791-Y801 PolarHBondContact O-OH 3.37Å; V792-Y801 HydrophobicContact CB-CE2 4.18Å; V792-Y801 HydrophobicContact CG1-CD2 4.24Å; V792-Y801 HydrophobicContact CG1-CE2 3.93Å; V792-Y801 HydrophobicContact CG2-CD2 3.68Å; V792-Y801 HydrophobicContact CG2-CE2 3.59Å; V792-Y801 HydrophobicContact CG2-CG 4.37Å; L798-Y801 PolarHBondContact O-N 3.46Å; L798-Y801 VanDerWaalsContact O-N 3.14Å; Y799-Y801 PolarHBondContact O-N 2.87Å; Y801-K804 PolarHBondContact O-N 2.95Å; Y801-K804 VanDerWaalsContact O-N 3.15Å; Y801-I805 PolarHBondContact O-N 2.84Å; Y801-I805 WeakPolarHBondContact O-CG1 3.47Å
802	V	93.7	Very high	89.3	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-51.3	-179.7	178.7	0	0	0	0	111.7	F658 N661 V662 E665 Y799 K804 I805 I806	F658-V802 HydrophobicContact CD2-CG2 3.66Å; F658-V802 HydrophobicContact CE2-CG2 3.53Å; N661-V802 HydrophobicContact CB-CG2 4.1Å; V662-V802 HydrophobicContact CG2-CG1 4.16Å; V662-V802 HydrophobicContact CG2-CG2 3.96Å; E665-V802 HydrophobicContact CG-CG1 4.19Å; Y799-V802 PolarHBondContact O-N 3.02Å; V802-K804 VanDerWaalsContact C-N 3.29Å; V802-K804 PolarHBondContact O-N 2.94Å; V802-I805 PolarHBondContact O-N 3.19Å; V802-I805 VanDerWaalsContact O-N 3.15Å; V802-I806 HydrophobicContact CG1-CG1 4.27Å; V802-I806 WeakPolarHBondContact O-CG1 3.4Å; V802-I806 PolarHBondContact O-N 3.47Å
803	P	91.8	Very high	88.7	Confident	90 Å²	90	58.6 Å²	58.6	58%	0.584	27%	0.273	S	S	*	.	H	α-helix	trans	-62	-34.8	-179.2	-22.9	35.3	0	0	0	113.4	H807	P803-H807 VanDerWaalsContact O-CB 3.27Å; P803-H807 PolarHBondContact O-N 3.5Å; P803-H807 WeakPolarHBondContact O-CB 3.33Å
804	K	90.8	Very high	87.8	Confident	93 Å²	93	55.8 Å²	55.8	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-71.5	-38.8	177.1	-173.5	-179.7	167.7	-151.4	0	111.5	F790 Y801 V802 H807 N808	F790-K804 HydrophobicContact CE1-CB 4.47Å; F790-K804 HydrophobicContact CE1-CD 3.76Å; F790-K804 HydrophobicContact CE1-CG 3.97Å; Y801-K804 PolarHBondContact O-N 2.95Å; Y801-K804 VanDerWaalsContact O-N 3.15Å; V802-K804 VanDerWaalsContact C-N 3.29Å; V802-K804 PolarHBondContact O-N 2.94Å; K804-H807 PolarHBondContact O-N 3.41Å; K804-N808 WeakPolarHBondContact O-CB 3.48Å; K804-N808 PolarHBondContact O-N 3.46Å; K804-N808 PolarHBondContact O-OD1 2.83Å
805	I	92.1	Very high	86.7	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-46.2	176.7	-69.4	164.2	0	0	0	110.3	F658 Y765 I767 F790 Y801 V802 H807 N808 I809	F658-I805 HydrophobicContact CE2-CD1 4.1Å; F658-I805 HydrophobicContact CZ-CD1 3.72Å; Y765-I805 HydrophobicContact CD1-CG2 4.13Å; Y765-I805 HydrophobicContact CE1-CG2 4.21Å; I767-I805 HydrophobicContact CD1-CD1 3.65Å; I767-I805 HydrophobicContact CG1-CD1 4.46Å; F790-I805 HydrophobicContact CD1-CG1 4.33Å; F790-I805 HydrophobicContact CD2-CG1 4.22Å; F790-I805 HydrophobicContact CE1-CG1 3.92Å; F790-I805 HydrophobicContact CE2-CG1 3.86Å; F790-I805 HydrophobicContact CG-CG1 4.45Å; F790-I805 HydrophobicContact CZ-CG1 3.69Å; Y801-I805 PolarHBondContact O-N 2.84Å; Y801-I805 WeakPolarHBondContact O-CG1 3.47Å; V802-I805 PolarHBondContact O-N 3.19Å; V802-I805 VanDerWaalsContact O-N 3.15Å; I805-H807 PolarHBondContact O-N 3.06Å; I805-N808 PolarHBondContact O-N 3.07Å; I805-I809 WeakPolarHBondContact O-CB 3.18Å; I805-I809 HydrophobicContact CG2-CD1 3.86Å; I805-I809 PolarHBondContact O-N 3.12Å; I805-I809 WeakPolarHBondContact O-CG1 3Å; I805-I809 VanDerWaalsContact O-CG1 3.28Å
806	I	91.6	Very high	85.1	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-43.4	175	-58.2	-58.1	0	0	0	111.4	L632 V662 E665 F666 V802 N808 I809 C810	L632-I806 HydrophobicContact CD2-CG2 4.21Å; V662-I806 HydrophobicContact CG1-CD1 4.17Å; E665-I806 HydrophobicContact CB-CD1 3.63Å; E665-I806 HydrophobicContact CB-CG1 3.8Å; E665-I806 HydrophobicContact CB-CG2 4.49Å; E665-I806 HydrophobicContact CG-CD1 4.08Å; E665-I806 HydrophobicContact CG-CG1 3.86Å; F666-I806 HydrophobicContact CD2-CD1 4.19Å; F666-I806 HydrophobicContact CE2-CD1 3.26Å; F666-I806 HydrophobicContact CZ-CD1 3.47Å; F666-I806 VanDerWaalsContact CZ-CD1 3.47Å; V802-I806 HydrophobicContact CG1-CG1 4.27Å; V802-I806 WeakPolarHBondContact O-CG1 3.4Å; V802-I806 PolarHBondContact O-N 3.47Å; I806-N808 PolarHBondContact O-N 3.26Å; I806-I809 PolarHBondContact O-N 3.06Å; I806-C810 WeakPolarHBondContact O-CB 3.32Å; I806-C810 PolarHBondContact O-N 3.35Å; I806-C810 PolarHBondContact O-SG 3.11Å
807	H	87.5	Confident	83	Confident	116 Å²	116	52 Å²	52	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-47.4	176.6	-176.5	73	0	0	0	111.9	P803 K804 I805 C810 Q811	P803-H807 VanDerWaalsContact O-CB 3.27Å; P803-H807 PolarHBondContact O-N 3.5Å; P803-H807 WeakPolarHBondContact O-CB 3.33Å; K804-H807 PolarHBondContact O-N 3.41Å; I805-H807 PolarHBondContact O-N 3.06Å; H807-C810 PolarHBondContact O-N 2.59Å; H807-Q811 WeakPolarHBondContact O-CB 3.38Å; H807-Q811 PolarHBondContact O-N 2.86Å
808	N	88.4	Confident	81	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-37.1	-179.6	-68	13.8	0	0	0	111.8	Y765 E787 K804 I805 I806 C810 Q811 E812	Y765-N808 HydrophobicContact CE1-CB 4.27Å; Y765-N808 PolarHBondContact OH-O 3.2Å; E787-N808 PolarHBondContact O-ND2 3.42Å; K804-N808 WeakPolarHBondContact O-CB 3.48Å; K804-N808 PolarHBondContact O-N 3.46Å; K804-N808 PolarHBondContact O-OD1 2.83Å; I805-N808 PolarHBondContact O-N 3.07Å; I806-N808 PolarHBondContact O-N 3.26Å; N808-C810 VanDerWaalsContact C-N 3.33Å; N808-C810 PolarHBondContact O-N 2.82Å; N808-Q811 PolarHBondContact O-N 3.32Å; N808-E812 PolarHBondContact O-N 2.82Å; N808-E812 WeakPolarHBondContact O-CB 3.34Å
809	I	88.3	Confident	78.3	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-44.4	171.7	-73.9	171.4	0	0	0	110.5	F666 I737 I739 Y765 I805 I806 F813	F666-I809 HydrophobicContact CE1-CG2 4.01Å; F666-I809 HydrophobicContact CZ-CD1 3.87Å; F666-I809 HydrophobicContact CZ-CG2 4Å; I737-I809 HydrophobicContact CD1-CB 4.45Å; I737-I809 HydrophobicContact CD1-CD1 4.35Å; I737-I809 HydrophobicContact CD1-CG1 4.18Å; I737-I809 HydrophobicContact CD1-CG2 3.55Å; I737-I809 HydrophobicContact CG2-CD1 4.31Å; I739-I809 HydrophobicContact CD1-CD1 4.46Å; Y765-I809 HydrophobicContact CE1-CG1 3.94Å; Y765-I809 HydrophobicContact CE2-CG1 3.8Å; Y765-I809 VanDerWaalsContact CZ-CG1 3.4Å; Y765-I809 WeakPolarHBondContact OH-CA 3.38Å; Y765-I809 WeakPolarHBondContact OH-CG1 3.41Å; Y765-I809 PolarHBondContact OH-N 2.91Å; Y765-I809 VanDerWaalsContact OH-N 3.08Å; I805-I809 WeakPolarHBondContact O-CB 3.18Å; I805-I809 HydrophobicContact CG2-CD1 3.86Å; I805-I809 PolarHBondContact O-N 3.12Å; I805-I809 WeakPolarHBondContact O-CG1 3Å; I805-I809 VanDerWaalsContact O-CG1 3.28Å; I806-I809 PolarHBondContact O-N 3.06Å; I809-F813 VanDerWaalsContact O-CB 3.28Å; I809-F813 WeakPolarHBondContact O-CB 3.49Å; I809-F813 PolarHBondContact O-N 2.92Å
810	C	85.3	Confident	77.7	Confident	21 Å²	21	58.5 Å²	58.5	14%	0.142	29%	0.293	C	S	.	.	H	α-helix	trans	-69.5	-38.7	177	-72.3	0	0	0	0	113.3	C631 I806 H807 N808 F813 N814	C631-C810 HydrophobicContact CB-CB 3.64Å; C631-C810 WeakPolarHBondContact CB-SG 3.43Å; C631-C810 WeakPolarHBondContact SG-CB 3.19Å; C631-C810 CovalentContact SG-SG 2.04Å; C631-C810 PolarHBondContact SG-SG 2.8Å; I806-C810 WeakPolarHBondContact O-CB 3.32Å; I806-C810 PolarHBondContact O-N 3.35Å; I806-C810 PolarHBondContact O-SG 3.11Å; H807-C810 PolarHBondContact O-N 2.59Å; N808-C810 VanDerWaalsContact C-N 3.33Å; N808-C810 PolarHBondContact O-N 2.82Å; C810-F813 PolarHBondContact O-N 2.85Å; C810-N814 PolarHBondContact O-N 2.81Å; C810-N814 VanDerWaalsContact O-N 3.1Å; C810-N814 PolarHBondContact O-OD1 2.99Å
811	Q	81.2	Confident	77	Confident	81 Å²	81	53.5 Å²	53.5	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-47.5	174.6	-178.3	176.1	-65.9	0	0	111.2	E787 H807 N808 N814 S815	E787-Q811 PolarHBondContact OE2-NE2 2.8Å; E787-Q811 VanDerWaalsContact OE2-NE2 3.12Å; H807-Q811 WeakPolarHBondContact O-CB 3.38Å; H807-Q811 PolarHBondContact O-N 2.86Å; N808-Q811 PolarHBondContact O-N 3.32Å; Q811-N814 PolarHBondContact O-N 2.85Å; Q811-S815 WeakPolarHBondContact O-CB 3.18Å; Q811-S815 PolarHBondContact O-N 2.86Å
812	E	77.4	Confident	76.1	Confident	21 Å²	21	52.8 Å²	52.8	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-79.5	-16.4	-179.4	-177	61.7	-176.8	0	0	113.4	I763 N808 S815 Q816	I763-E812 HydrophobicContact CD1-CB 4.3Å; I763-E812 HydrophobicContact CD1-CG 3.4Å; I763-E812 VanDerWaalsContact CD1-CG 3.4Å; I763-E812 HydrophobicContact CG1-CG 4.17Å; N808-E812 PolarHBondContact O-N 2.82Å; N808-E812 WeakPolarHBondContact O-CB 3.34Å; E812-S815 PolarHBondContact O-OG 3.28Å; E812-S815 PolarHBondContact OE2-OG 2.76Å; E812-Q816 PolarHBondContact OE1-NE2 2.82Å
813	F	78.3	Confident	75.1	Confident	24 Å²	24	55.4 Å²	55.4	11%	0.105	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-36	164.5	-176.3	-92.6	0	0	0	111.9	K629 C631 A634 R735 I809 C810	K629-F813 HydrophobicContact CB-CZ 4.31Å; C631-F813 HydrophobicContact CB-CB 3.69Å; C631-F813 HydrophobicContact CB-CD1 3.73Å; C631-F813 HydrophobicContact CB-CD2 4.46Å; C631-F813 HydrophobicContact CB-CG 3.7Å; A634-F813 HydrophobicContact CB-CE2 3.44Å; A634-F813 VanDerWaalsContact CB-CE2 3.44Å; A634-F813 HydrophobicContact CB-CZ 3.56Å; R735-F813 HydrophobicContact CB-CD2 4.1Å; R735-F813 HydrophobicContact CB-CE2 4.32Å; R735-F813 HydrophobicContact CG-CD2 3.95Å; R735-F813 HydrophobicContact CG-CE2 4.45Å; I809-F813 VanDerWaalsContact O-CB 3.28Å; I809-F813 WeakPolarHBondContact O-CB 3.49Å; I809-F813 PolarHBondContact O-N 2.92Å; C810-F813 PolarHBondContact O-N 2.85Å
814	N	70.1	Confident	74.1	Confident	35 Å²	35	53.2 Å²	53.2	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-83.4	-35.8	-178.5	-64	-2.6	0	0	0	113.1	D527 R532 G533 C810 Q811 Q816	D527-N814 WeakPolarHBondContact OD2-CB 3.34Å; R532-N814 PolarHBondContact O-ND2 2.75Å; G533-N814 WeakPolarHBondContact CA-OD1 3.39Å; C810-N814 PolarHBondContact O-N 2.81Å; C810-N814 VanDerWaalsContact O-N 3.1Å; C810-N814 PolarHBondContact O-OD1 2.99Å; Q811-N814 PolarHBondContact O-N 2.85Å; N814-Q816 PolarHBondContact O-N 2.98Å; N814-Q816 VanDerWaalsContact O-N 3.16Å
815	S	64.6	Low	72.9	Confident	60 Å²	60	50.5 Å²	50.5	42%	0.42	27%	0.265	S	S	.	.	S	Bend	trans	-59.9	-26.5	-176.7	75.9	0	0	0	0	113.6	Q811 E812	Q811-S815 WeakPolarHBondContact O-CB 3.18Å; Q811-S815 PolarHBondContact O-N 2.86Å; E812-S815 PolarHBondContact O-OG 3.28Å; E812-S815 PolarHBondContact OE2-OG 2.76Å
816	Q	59.6	Low	71.6	Confident	48 Å²	48	54.1 Å²	54.1	22%	0.224	28%	0.284	C	S	.	.	S	Bend	trans	-95.6	127.7	-176	-56.8	-161.6	15.2	0	0	111	R735 E812 N814 R818	R735-Q816 VanDerWaalsContact NH2-NE2 3.2Å; R735-Q816 VanDerWaalsContact NH2-OE1 3.14Å; E812-Q816 PolarHBondContact OE1-NE2 2.82Å; N814-Q816 PolarHBondContact O-N 2.98Å; N814-Q816 VanDerWaalsContact O-N 3.16Å; Q816-R818 PolarHBondContact O-N 2.82Å
817	P	46	Very low	70	Confident	101 Å²	101	57.1 Å²	57.1	66%	0.656	30%	0.3	S	S	*	.			trans	-53.7	135.7	171.5	-26.4	34.7	0	0	0	111.4	N819	P817-N819 PolarHBondContact O-N 2.79Å
818	R	49.5	Very low	68.6	Low	68 Å²	68	52.2 Å²	52.2	26%	0.257	28%	0.28	S	S	.	.			trans	-72.5	13.6	-173.9	-61.5	-170.4	174.6	-155.9	-7.5	115	S561 K629 Q816	S561-R818 WeakPolarHBondContact O-CD 3.15Å; S561-R818 PolarHBondContact O-NH1 3.21Å; K629-R818 PolarHBondContact O-NH1 2.83Å; K629-R818 PolarHBondContact O-NH2 3Å; Q816-R818 PolarHBondContact O-N 2.82Å
819	N	34.3	Very low	66.8	Low	154 Å²	154	55.9 Å²	55.9	82%	0.824	30%	0.3	S	S	*	.			trans	-140	0	-175.8	-55.5	-54.8	0	0	0	109.9	S561 P817	S561-N819 PolarHBondContact OG-OD1 3.04Å; P817-N819 PolarHBondContact O-N 2.79Å

Retrieved 819 of 819 residues in 235.7 ms (Link to these results)

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