A0A077ZAZ3_TRITR Loading...

General transcription and DNA repair factor IIH helicase/translocase subunit XPB

AlphaFold DB , UniProt , Accession A0A077ZAZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 767 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.3	Very low	35.7	Very low	243 Å²	243	190.2 Å²	190.2	100%	1.197	90%	0.903	S	S	*	*				0	87.1	0	-59.2	-177.2	-155	0	0	106.6
2	S	33.8	Very low	35.8	Very low	111 Å²	111	191.6 Å²	191.6	78%	0.776	90%	0.903	S	S	*	*				57.8	127.2	86.3	-173.4	0	0	0	0	115.3
3	R	38.2	Very low	35.4	Very low	246 Å²	246	183.2 Å²	183.2	93%	0.928	90%	0.898	S	S	*	*			trans	102.1	121.1	169.7	-62.4	176.9	168.7	-175.1	-3.4	114.9
4	G	40.7	Very low	35.1	Very low	79 Å²	79	183.1 Å²	183.1	81%	0.814	89%	0.891	S	S	*	*			cis	-174.3	139.5	1	0	0	0	0	0	109.8
5	E	35.1	Very low	34.7	Very low	180 Å²	180	176.5 Å²	176.5	84%	0.841	87%	0.871	S	S	*	*			trans	-79.5	138.5	178.8	-67.8	178.7	132.9	0	0	111.9
6	L	40.5	Very low	34.4	Very low	173 Å²	173	178.5 Å²	178.5	91%	0.906	87%	0.873	S	S	*	*			trans	-121.1	97.8	161.7	-111.7	139.9	0	0	0	108
7	R	32.8	Very low	34.3	Very low	233 Å²	233	181.8 Å²	181.8	88%	0.879	87%	0.874	S	S	*	*			trans	-65	123.3	175.4	-82.4	174.9	157.4	-174.5	-6.3	111.2
8	K	38.5	Very low	34	Very low	209 Å²	209	179.8 Å²	179.8	91%	0.909	86%	0.863	S	S	*	*			trans	-115	137.9	159.3	-84.8	-176.7	177.5	175.6	0	110.1
9	R	31.9	Very low	33.8	Very low	241 Å²	241	180.7 Å²	180.7	91%	0.909	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-52.7	152.4	-167	-68.7	172.2	167.4	-179.8	-5.5	116.1
10	P	30.6	Very low	33.7	Very low	128 Å²	128	180 Å²	180	83%	0.831	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-76.1	132.3	179.2	32.1	-32.2	0	0	0	111.3
11	R	33.9	Very low	33.4	Very low	249 Å²	249	175.8 Å²	175.8	94%	0.94	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-80.9	132	167	-83.9	-177.2	168	177.4	-3.8	109.2
12	K	36.8	Very low	33.1	Very low	207 Å²	207	169.3 Å²	169.3	90%	0.9	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-46.2	136.9	179.8	-71.3	175.5	171.8	179.8	0	112.5
13	G	29.6	Very low	32.9	Very low	82 Å²	82	170.5 Å²	170.5	85%	0.845	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.3	131.7	-179.9	0	0	0	0	0	113.1
14	K	31.3	Very low	32.6	Very low	182 Å²	182	165.6 Å²	165.6	79%	0.791	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.5	134.7	159.4	-75.8	-174.9	169.9	-166.7	0	108.2
15	S	30	Very low	32.2	Very low	85 Å²	85	166 Å²	166	59%	0.594	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.7	142.7	173.3	47.9	0	0	0	0	110.3	W17	S15-W17 PolarHBondContact O-N 3.39Å
16	K	29.5	Very low	32	Very low	208 Å²	208	165.5 Å²	165.5	90%	0.904	80%	0.799	S	S	*	*	S	Bend	trans	-69.8	27.6	-171.9	-144.2	-178.7	-176.8	-172.1	0	114.7
17	W	33.3	Very low	31.5	Very low	235 Å²	235	161.2 Å²	161.2	89%	0.89	79%	0.788	S	S	*	*			trans	-127.1	22.2	-167.7	-65.3	102.7	0	0	0	114.2	S15	S15-W17 PolarHBondContact O-N 3.39Å
18	E	28.2	Very low	31.9	Very low	146 Å²	146	153.3 Å²	153.3	68%	0.682	76%	0.763	S	S	*	*			trans	-128.3	61.3	178.3	-70.5	-176.2	164	0	0	111.7
19	E	30.8	Very low	32.2	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	73%	0.733	S	S	*	*			trans	-127.3	99.4	154.2	-84.8	-177.7	170.2	0	0	107.2
20	F	30.6	Very low	32.9	Very low	166 Å²	166	134.3 Å²	134.3	73%	0.728	69%	0.692	S	S	*	*			trans	-93.2	104.9	174.9	-157.3	-93.7	0	0	0	106.7	P22	F20-P22 WeakPolarHBondContact O-CD 3.38Å
21	D	28.8	Very low	33.6	Very low	92 Å²	92	134.3 Å²	134.3	49%	0.492	69%	0.685	S	S	.	*			trans	-75.9	117.1	173.2	-165.7	-19.4	0	0	0	108.9	N23 F24	D21-N23 PolarHBondContact O-N 3.3Å; D21-N23 VanDerWaalsContact O-N 3.12Å; D21-N23 PolarHBondContact OD1-N 3.09Å; D21-F24 WeakPolarHBondContact O-CB 3.18Å; D21-F24 PolarHBondContact O-N 3.32Å; D21-F24 VanDerWaalsContact O-N 3.12Å
22	P	31.2	Very low	34.3	Very low	108 Å²	108	122.8 Å²	122.8	70%	0.701	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-62.2	-16.2	179.6	-17.8	30.6	0	0	0	113.7	F20 F24	F20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-F24 VanDerWaalsContact C-N 3.27Å; P22-F24 PolarHBondContact O-N 2.8Å
23	N	29	Very low	34.6	Very low	135 Å²	135	114.7 Å²	114.7	72%	0.722	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-78	-8.4	176.6	-71.4	-29.8	0	0	0	113.9	D21 A25	D21-N23 PolarHBondContact O-N 3.3Å; D21-N23 VanDerWaalsContact O-N 3.12Å; D21-N23 PolarHBondContact OD1-N 3.09Å; N23-A25 PolarHBondContact O-N 3.42Å
24	F	31.5	Very low	35.2	Very low	143 Å²	143	113.9 Å²	113.9	63%	0.627	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-73.3	-6.3	-177	-142.7	-92.8	0	0	0	114	D21 P22	D21-F24 WeakPolarHBondContact O-CB 3.18Å; D21-F24 PolarHBondContact O-N 3.32Å; D21-F24 VanDerWaalsContact O-N 3.12Å; P22-F24 VanDerWaalsContact C-N 3.27Å; P22-F24 PolarHBondContact O-N 2.8Å
25	A	31.7	Very low	36.1	Very low	87 Å²	87	114.1 Å²	114.1	72%	0.719	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-92.8	-6.1	-171.4	0	0	0	0	0	115.6	N23	N23-A25 PolarHBondContact O-N 3.42Å
26	L	30.7	Very low	37	Very low	171 Å²	171	118.1 Å²	118.1	90%	0.895	60%	0.598	S	S	*	*	S	Bend	trans	-118.9	-2.9	-174.6	-89.7	151.6	0	0	0	114.8
27	A	31.1	Very low	38.2	Very low	82 Å²	82	109.6 Å²	109.6	68%	0.678	56%	0.562	S	S	*	*	S	Bend	trans	-92.4	0.6	-175	0	0	0	0	0	114.7	V29	A27-V29 PolarHBondContact O-N 3.09Å
28	D	41.7	Very low	39	Very low	67 Å²	67	102.4 Å²	102.4	36%	0.358	55%	0.548	S	S	.	.			trans	-103.4	27.5	-155.5	-87.5	-5.5	0	0	0	115.6	K271	D28-K271 WeakPolarHBondContact OD1-CE 3.4Å; D28-K271 IonicContact OD1-NZ 3.25Å; D28-K271 PolarHBondContact OD1-NZ 3.12Å; D28-K271 IonicContact OD2-NZ 3.42Å; D28-K271 PolarHBondContact OD2-NZ 3.28Å
29	V	43.8	Very low	40.2	Very low	46 Å²	46	99.3 Å²	99.3	28%	0.279	54%	0.536	S	S	.	.	S	Bend	trans	-125.5	132.5	-179.7	-178	0	0	0	0	108.4	A27 N31 A33	A27-V29 PolarHBondContact O-N 3.09Å; V29-N31 PolarHBondContact O-N 3.39Å; V29-A33 VanDerWaalsContact CG1-C 3.47Å; V29-A33 HydrophobicContact CG1-CB 3.25Å
30	P	47.7	Very low	41.3	Very low	5 Å²	5	98.7 Å²	98.7	3%	0.032	53%	0.533	C	S	.	.			trans	-51.1	141.9	179.7	15.7	-26.3	0	0	0	109.6	V32 A33 S34 I274	P30-V32 CarbonylContact O-C 3.2Å; P30-V32 PolarHBondContact O-N 3.13Å; P30-A33 HydrophobicContact CG-CB 3.92Å; P30-A33 WeakPolarHBondContact O-CA 3.48Å; P30-A33 PolarHBondContact O-N 3.33Å; P30-S34 PolarHBondContact O-N 3.05Å; P30-I274 HydrophobicContact CB-CG2 4.44Å; P30-I274 HydrophobicContact CG-CG2 3.66Å
31	N	45.6	Very low	42.8	Very low	128 Å²	128	92 Å²	92	68%	0.684	51%	0.505	S	S	*	.	H	α-helix	trans	-50.5	-25.4	-174.4	-87.3	-28	0	0	0	113.4	V29 S34 R35	V29-N31 PolarHBondContact O-N 3.39Å; N31-S34 WeakPolarHBondContact CA-OG 3.32Å; N31-S34 PolarHBondContact O-OG 3.43Å; N31-R35 VanDerWaalsContact O-CB 3.23Å; N31-R35 WeakPolarHBondContact O-CB 3.46Å; N31-R35 WeakPolarHBondContact O-CG 3.5Å; N31-R35 PolarHBondContact O-N 3.35Å
32	V	47.7	Very low	44.6	Very low	8 Å²	8	91.2 Å²	91.2	5%	0.048	51%	0.506	C	S	.	.	H	α-helix	trans	-72.8	-40.8	174.4	179.7	0	0	0	0	112.5	P30 F145 L148 E277	P30-V32 CarbonylContact O-C 3.2Å; P30-V32 PolarHBondContact O-N 3.13Å; V32-F145 HydrophobicContact CG1-CD2 4.04Å; V32-F145 HydrophobicContact CG1-CE2 3.66Å; V32-L148 HydrophobicContact CB-CD2 4.26Å; V32-L148 HydrophobicContact CG1-CD2 3.92Å; V32-L148 HydrophobicContact CG2-CD1 4.26Å; V32-L148 HydrophobicContact CG2-CD2 3.33Å; V32-L148 HydrophobicContact CG2-CG 4.46Å; V32-E277 WeakPolarHBondContact CG2-OE1 3.2Å
33	A	43.7	Very low	46.8	Very low	36 Å²	36	90.9 Å²	90.9	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-82.7	-17.9	177.9	0	0	0	0	0	113.2	V29 P30 A110	V29-A33 VanDerWaalsContact CG1-C 3.47Å; V29-A33 HydrophobicContact CG1-CB 3.25Å; P30-A33 HydrophobicContact CG-CB 3.92Å; P30-A33 WeakPolarHBondContact O-CA 3.48Å; P30-A33 PolarHBondContact O-N 3.33Å; A33-A110 HydrophobicContact CB-CB 3.98Å
34	S	41.7	Very low	49.4	Very low	66 Å²	66	87.8 Å²	87.8	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-91.9	-20.5	169.7	65	0	0	0	0	113.6	P30 N31 K36	P30-S34 PolarHBondContact O-N 3.05Å; N31-S34 WeakPolarHBondContact CA-OG 3.32Å; N31-S34 PolarHBondContact O-OG 3.43Å; S34-K36 PolarHBondContact O-N 2.92Å
35	R	49	Very low	52	Low	186 Å²	186	89.9 Å²	89.9	70%	0.702	49%	0.494	S	S	*	.			trans	-64.9	86.9	161.7	-87.8	177.9	177.9	-179.4	0.2	108.2	N31 L37	N31-R35 VanDerWaalsContact O-CB 3.23Å; N31-R35 WeakPolarHBondContact O-CB 3.46Å; N31-R35 WeakPolarHBondContact O-CG 3.5Å; N31-R35 PolarHBondContact O-N 3.35Å; R35-L37 VanDerWaalsContact C-N 3.35Å; R35-L37 PolarHBondContact O-N 2.93Å
36	K	50.3	Low	54.6	Low	170 Å²	170	94.7 Å²	94.7	74%	0.739	50%	0.499	S	S	*	.			trans	-49	113.7	146	-72.2	-176.3	178.9	-179.9	0	104.8	S34 S38	S34-K36 PolarHBondContact O-N 2.92Å; K36-S38 PolarHBondContact O-N 3.25Å
37	L	54.5	Low	57.1	Low	29 Å²	29	89 Å²	89	15%	0.152	48%	0.482	C	S	.	.	S	Bend	trans	-39.4	119.8	170.7	-78.4	141.2	0	0	0	106.8	R35 D39 P70 G141 I142 F145	R35-L37 VanDerWaalsContact C-N 3.35Å; R35-L37 PolarHBondContact O-N 2.93Å; L37-D39 PolarHBondContact O-N 2.76Å; L37-D39 VanDerWaalsContact O-N 3.12Å; L37-P70 WeakPolarHBondContact CB-O 3.46Å; L37-P70 WeakPolarHBondContact CD1-O 3.46Å; L37-G141 VanDerWaalsContact CD2-O 3.28Å; L37-G141 WeakPolarHBondContact CD2-O 3.45Å; L37-I142 HydrophobicContact CD1-CD1 3.56Å; L37-I142 HydrophobicContact CD2-CD1 4.44Å; L37-F145 HydrophobicContact CD1-CG 4.45Å; L37-F145 HydrophobicContact CD2-CB 4.03Å; L37-F145 HydrophobicContact CD2-CG 4.48Å
38	S	49.7	Very low	59.7	Low	84 Å²	84	87.6 Å²	87.6	59%	0.587	47%	0.47	S	S	*	.			trans	-43.5	116.6	-158	45.1	0	0	0	0	112.4	K36 Q40	K36-S38 PolarHBondContact O-N 3.25Å; S38-Q40 PolarHBondContact O-N 2.74Å
39	D	53.6	Low	61.8	Low	80 Å²	80	88.4 Å²	88.4	43%	0.428	47%	0.47	S	S	.	.			trans	-70.7	27.1	171.4	-97	-8.7	0	0	0	112	L37 L41 K49	L37-D39 PolarHBondContact O-N 2.76Å; L37-D39 VanDerWaalsContact O-N 3.12Å; D39-L41 PolarHBondContact O-N 3.11Å; D39-K49 IonicContact OD1-NZ 2.68Å; D39-K49 PolarHBondContact OD1-NZ 3Å; D39-K49 IonicContact OD2-NZ 3.93Å; D39-K49 PolarHBondContact OD2-NZ 3.33Å
40	Q	55	Low	63.7	Low	183 Å²	183	89 Å²	89	86%	0.855	47%	0.472	S	S	*	.			trans	-76.1	46.8	174	-71.7	-170.1	-9.3	0	0	111	S38	S38-Q40 PolarHBondContact O-N 2.74Å
41	L	60.9	Low	65.5	Low	27 Å²	27	90.4 Å²	90.4	14%	0.141	48%	0.477	C	S	.	.			trans	-104.4	139.2	-179	-73.9	148.3	0	0	0	108.1	D39 N43 Y51 D54 P70	D39-L41 PolarHBondContact O-N 3.11Å; L41-N43 PolarHBondContact O-N 3.03Å; L41-N43 VanDerWaalsContact O-N 3.11Å; L41-Y51 HydrophobicContact CB-CE1 4.36Å; L41-Y51 HydrophobicContact CD1-CD1 3.79Å; L41-Y51 HydrophobicContact CD1-CE1 3.31Å; L41-Y51 HydrophobicContact CD2-CD1 3.86Å; L41-Y51 HydrophobicContact CD2-CE1 4.23Å; L41-Y51 HydrophobicContact CG-CD1 4.26Å; L41-Y51 HydrophobicContact CG-CE1 4.12Å; L41-D54 VanDerWaalsContact CD2-OD2 3.27Å; L41-D54 WeakPolarHBondContact CD2-OD2 3.48Å; L41-P70 HydrophobicContact CD1-CG 3.83Å
42	S	66.8	Low	67.4	Low	75 Å²	75	93.7 Å²	93.7	52%	0.524	48%	0.48	S	S	.	.			trans	-62.9	114.4	173.1	48.5	0	0	0	0	108.5	D50	S42-D50 PolarHBondContact O-N 3.25Å; S42-D50 VanDerWaalsContact O-N 3.17Å
43	N	78.3	Confident	69	Low	100 Å²	100	100.5 Å²	100.5	54%	0.535	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-71.4	140.7	162.8	-66.3	-31.2	0	0	0	108	L41 A48	L41-N43 PolarHBondContact O-N 3.03Å; L41-N43 VanDerWaalsContact O-N 3.11Å; N43-A48 CarbonylContact C-O 3.55Å; N43-A48 VanDerWaalsContact CA-O 3.28Å; N43-A48 WeakPolarHBondContact CA-O 3.49Å
44	D	82.9	Confident	70.7	Confident	71 Å²	71	102.7 Å²	102.7	38%	0.38	52%	0.523	S	S	.	.			trans	-66.7	177.5	166.7	76.3	1.5	0	0	0	111.1	F46 G47 A48	D44-F46 PolarHBondContact O-N 3.09Å; D44-F46 VanDerWaalsContact OD1-C 3.28Å; D44-F46 WeakPolarHBondContact OD1-CA 3.45Å; D44-F46 PolarHBondContact OD1-N 3.29Å; D44-G47 PolarHBondContact O-N 2.88Å; D44-G47 PolarHBondContact OD1-N 2.92Å; D44-A48 PolarHBondContact N-O 3.48Å; D44-A48 PolarHBondContact OD1-N 3.18Å; D44-A48 WeakPolarHBondContact OD2-CB 3.28Å
45	E	86	Confident	72.8	Confident	187 Å²	187	101.6 Å²	101.6	87%	0.874	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.8	179.5	-61.5	-178.6	171.7	0	0	113.7
46	F	85.8	Confident	74.6	Confident	187 Å²	187	95.7 Å²	95.7	82%	0.82	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	0.3	-177.1	-54.1	-74.5	0	0	0	113.5	D44	D44-F46 PolarHBondContact O-N 3.09Å; D44-F46 VanDerWaalsContact OD1-C 3.28Å; D44-F46 WeakPolarHBondContact OD1-CA 3.45Å; D44-F46 PolarHBondContact OD1-N 3.29Å
47	G	84.2	Confident	76.6	Confident	53 Å²	53	92.6 Å²	92.6	55%	0.546	49%	0.487	S	S	.	.	S	Bend	trans	87.9	11.4	179.7	0	0	0	0	0	115.4	D44	D44-G47 PolarHBondContact O-N 2.88Å; D44-G47 PolarHBondContact OD1-N 2.92Å
48	A	85.9	Confident	78.3	Confident	52 Å²	52	92 Å²	92	43%	0.43	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-80.1	143.3	169.3	0	0	0	0	0	110.5	N43 D44	N43-A48 CarbonylContact C-O 3.55Å; N43-A48 VanDerWaalsContact CA-O 3.28Å; N43-A48 WeakPolarHBondContact CA-O 3.49Å; D44-A48 PolarHBondContact N-O 3.48Å; D44-A48 PolarHBondContact OD1-N 3.18Å; D44-A48 WeakPolarHBondContact OD2-CB 3.28Å
49	K	84.2	Confident	80.2	Confident	83 Å²	83	94.3 Å²	94.3	36%	0.361	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-82.2	121.5	178.7	-62.2	-179.3	174.1	-172.1	0	109.5	D39 Y51	D39-K49 IonicContact OD1-NZ 2.68Å; D39-K49 PolarHBondContact OD1-NZ 3Å; D39-K49 IonicContact OD2-NZ 3.93Å; D39-K49 PolarHBondContact OD2-NZ 3.33Å; K49-Y51 HydrophobicContact CB-CD1 4.26Å; K49-Y51 HydrophobicContact CB-CE1 3.54Å; K49-Y51 HydrophobicContact CD-CE1 4.14Å; K49-Y51 VanDerWaalsContact CD-OH 3.22Å; K49-Y51 WeakPolarHBondContact CD-OH 3.35Å; K49-Y51 HydrophobicContact CG-CE1 4.44Å
50	D	85.3	Confident	81.9	Confident	60 Å²	60	93.5 Å²	93.5	32%	0.321	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-87.9	123.1	173.4	-161.3	-12.4	0	0	0	110.3	S42 R52	S42-D50 PolarHBondContact O-N 3.25Å; S42-D50 VanDerWaalsContact O-N 3.17Å; D50-R52 WeakPolarHBondContact OD1-CB 3.32Å; D50-R52 WeakPolarHBondContact OD1-CD 3.49Å; D50-R52 WeakPolarHBondContact OD1-CG 3.2Å; D50-R52 PolarHBondContact OD1-N 3.11Å; D50-R52 IonicContact OD1-NE 3.67Å
51	Y	84.7	Confident	83.5	Confident	33 Å²	33	88.4 Å²	88.4	13%	0.129	47%	0.468	C	S	.	.			trans	-115.1	9	-179.3	-61.7	-25.7	0	0	0	112.6	L41 K49 D53 D54 M55 A69 P70 N71	L41-Y51 HydrophobicContact CB-CE1 4.36Å; L41-Y51 HydrophobicContact CD1-CD1 3.79Å; L41-Y51 HydrophobicContact CD1-CE1 3.31Å; L41-Y51 HydrophobicContact CD2-CD1 3.86Å; L41-Y51 HydrophobicContact CD2-CE1 4.23Å; L41-Y51 HydrophobicContact CG-CD1 4.26Å; L41-Y51 HydrophobicContact CG-CE1 4.12Å; K49-Y51 HydrophobicContact CB-CD1 4.26Å; K49-Y51 HydrophobicContact CB-CE1 3.54Å; K49-Y51 HydrophobicContact CD-CE1 4.14Å; K49-Y51 VanDerWaalsContact CD-OH 3.22Å; K49-Y51 WeakPolarHBondContact CD-OH 3.35Å; K49-Y51 HydrophobicContact CG-CE1 4.44Å; Y51-D53 VanDerWaalsContact C-N 3.33Å; Y51-D53 PolarHBondContact O-N 2.7Å; Y51-D54 PolarHBondContact O-N 3.1Å; Y51-M55 HydrophobicContact CD2-CE 4.04Å; Y51-M55 HydrophobicContact CD2-SD 4.4Å; Y51-M55 HydrophobicContact CG-CE 4.18Å; Y51-M55 WeakPolarHBondContact O-CB 3.48Å; Y51-M55 PolarHBondContact O-N 3.16Å; Y51-M55 VanDerWaalsContact O-N 3.12Å; Y51-A69 HydrophobicContact CD2-CB 4.05Å; Y51-A69 HydrophobicContact CE2-CB 3.71Å; Y51-P70 HydrophobicContact CD1-CG 3.75Å; Y51-P70 HydrophobicContact CD2-CG 4.44Å; Y51-P70 HydrophobicContact CE1-CG 3.9Å; Y51-P70 HydrophobicContact CG-CG 4.05Å; Y51-N71 PolarHBondContact OH-ND2 3Å
52	R	84.8	Confident	84.8	Confident	198 Å²	198	91.1 Å²	91.1	75%	0.747	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-38.9	-173.6	-72.6	167.5	-175.8	-177.1	4.2	113.3	D50	D50-R52 WeakPolarHBondContact OD1-CB 3.32Å; D50-R52 WeakPolarHBondContact OD1-CD 3.49Å; D50-R52 WeakPolarHBondContact OD1-CG 3.2Å; D50-R52 PolarHBondContact OD1-N 3.11Å; D50-R52 IonicContact OD1-NE 3.67Å
53	D	82.5	Confident	85.8	Confident	150 Å²	150	91.9 Å²	91.9	80%	0.802	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.7	-177.4	-66.1	-22.2	0	0	0	112.3	Y51	Y51-D53 VanDerWaalsContact C-N 3.33Å; Y51-D53 PolarHBondContact O-N 2.7Å
54	D	79.3	Confident	86.5	Confident	83 Å²	83	89.2 Å²	89.2	44%	0.444	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.1	-178.3	-72.2	-32.2	0	0	0	113.8	L41 Y51 P56	L41-D54 VanDerWaalsContact CD2-OD2 3.27Å; L41-D54 WeakPolarHBondContact CD2-OD2 3.48Å; Y51-D54 PolarHBondContact O-N 3.1Å; D54-P56 VanDerWaalsContact C-CD 3.48Å; D54-P56 WeakPolarHBondContact O-CD 3.48Å
55	M	85.1	Confident	87	Confident	43 Å²	43	85.9 Å²	85.9	21%	0.212	46%	0.464	C	S	.	.			trans	-125.9	68.4	-174.5	-58.7	-171.3	-42.3	0	0	111.8	Y51 L57 P139	Y51-M55 HydrophobicContact CD2-CE 4.04Å; Y51-M55 HydrophobicContact CD2-SD 4.4Å; Y51-M55 HydrophobicContact CG-CE 4.18Å; Y51-M55 WeakPolarHBondContact O-CB 3.48Å; Y51-M55 PolarHBondContact O-N 3.16Å; Y51-M55 VanDerWaalsContact O-N 3.12Å; M55-L57 PolarHBondContact O-N 3.44Å; M55-P139 HydrophobicContact CG-CG 4.24Å
56	P	87.7	Confident	87.4	Confident	61 Å²	61	77 Å²	77	40%	0.396	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-62.2	137.5	174.5	27.9	-34.3	0	0	0	110.4	D54 S136 D137	D54-P56 VanDerWaalsContact C-CD 3.48Å; D54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-S136 CarbonylContact O-C 3.54Å; P56-S136 VanDerWaalsContact O-CA 3.25Å; P56-S136 WeakPolarHBondContact O-CA 3.43Å; P56-S136 WeakPolarHBondContact O-CB 3.48Å; P56-D137 HydrophobicContact CG-CB 3.85Å; P56-D137 WeakPolarHBondContact CG-OD2 3.37Å; P56-D137 PolarHBondContact O-N 3.14Å
57	L	90.7	Very high	87.8	Confident	105 Å²	105	72 Å²	72	55%	0.55	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-79.8	129.8	-175	-168.9	69.2	0	0	0	110.8	M55 H61 K135	M55-L57 PolarHBondContact O-N 3.44Å; L57-H61 HydrophobicContact CD1-CB 3.59Å; L57-H61 HydrophobicContact CD2-CB 4.32Å; L57-H61 HydrophobicContact CG-CB 3.86Å; L57-K135 HydrophobicContact CD1-CB 4.41Å
58	K	91.6	Very high	88.2	Confident	17 Å²	17	69.5 Å²	69.5	7%	0.074	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-73	149.8	175.1	-64.1	-176.1	179.3	-179.3	0	110.9	D60 H61 D131 K135 S136 D137	K58-D60 WeakPolarHBondContact CB-OD1 3.38Å; K58-D60 PolarHBondContact O-N 3.46Å; K58-H61 WeakPolarHBondContact O-CB 3.32Å; K58-H61 PolarHBondContact O-CD2 3.25Å; K58-H61 VanDerWaalsContact O-CD2 3.25Å; K58-H61 PolarHBondContact O-N 2.61Å; K58-D131 PolarHBondContact NZ-O 3.34Å; K58-D131 IonicContact NZ-OD1 3.01Å; K58-D131 PolarHBondContact NZ-OD1 2.94Å; K58-D131 IonicContact NZ-OD2 3.89Å; K58-D131 PolarHBondContact NZ-OD2 3.34Å; K58-K135 WeakPolarHBondContact CB-O 3.39Å; K58-K135 PolarHBondContact N-O 3.4Å; K58-S136 WeakPolarHBondContact CE-O 3.46Å; K58-D137 WeakPolarHBondContact CE-OD1 3.32Å; K58-D137 WeakPolarHBondContact CG-OD1 3.45Å
59	P	88.4	Confident	88.5	Confident	132 Å²	132	67.1 Å²	67.1	86%	0.857	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-179.4	25.7	-35.1	0	0	0	113.7
60	D	89.3	Confident	88.6	Confident	63 Å²	63	63.9 Å²	63.9	34%	0.337	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	23	-179.3	65.8	-23.6	0	0	0	113.2	K58 A62 C63 R64	K58-D60 WeakPolarHBondContact CB-OD1 3.38Å; K58-D60 PolarHBondContact O-N 3.46Å; D60-A62 PolarHBondContact O-N 3.29Å; D60-C63 PolarHBondContact O-N 3.4Å; D60-R64 IonicContact OD1-CZ 2.87Å; D60-R64 IonicContact OD1-NE 2.71Å; D60-R64 PolarHBondContact OD1-NE 3.34Å; D60-R64 VanDerWaalsContact OD1-NE 3.09Å; D60-R64 IonicContact OD1-NH2 3.34Å; D60-R64 IonicContact OD2-CZ 2.58Å; D60-R64 IonicContact OD2-NE 3.48Å; D60-R64 PolarHBondContact OD2-NE 3.09Å; D60-R64 IonicContact OD2-NH2 3.09Å; D60-R64 PolarHBondContact OD2-NH2 3.15Å
61	H	88.3	Confident	88.5	Confident	76 Å²	76	62.8 Å²	62.8	35%	0.352	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-53.7	-24.4	-178.3	66.7	83.8	0	0	0	114.8	L57 K58 C63 K135	L57-H61 HydrophobicContact CD1-CB 3.59Å; L57-H61 HydrophobicContact CD2-CB 4.32Å; L57-H61 HydrophobicContact CG-CB 3.86Å; K58-H61 WeakPolarHBondContact O-CB 3.32Å; K58-H61 PolarHBondContact O-CD2 3.25Å; K58-H61 VanDerWaalsContact O-CD2 3.25Å; K58-H61 PolarHBondContact O-N 2.61Å; H61-C63 VanDerWaalsContact C-N 3.3Å; H61-C63 PolarHBondContact O-N 2.95Å; H61-K135 HydrophobicContact CB-CB 4.15Å; H61-K135 HydrophobicContact CB-CG 4.37Å; H61-K135 WeakPolarHBondContact O-CD 3.23Å; H61-K135 WeakPolarHBondContact O-CE 3.1Å; H61-K135 WeakPolarHBondContact O-CG 3.47Å
62	A	88.4	Confident	88.6	Confident	85 Å²	85	61.2 Å²	61.2	70%	0.702	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.2	-25.4	179.4	0	0	0	0	0	113.3	D60	D60-A62 PolarHBondContact O-N 3.29Å
63	C	88.7	Confident	88.9	Confident	91 Å²	91	53.6 Å²	53.6	62%	0.615	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-93.6	-6.1	-176.4	-66.4	0	0	0	0	113.3	D60 H61	D60-C63 PolarHBondContact O-N 3.4Å; H61-C63 VanDerWaalsContact C-N 3.3Å; H61-C63 PolarHBondContact O-N 2.95Å
64	R	92.1	Very high	89.4	Confident	44 Å²	44	46.4 Å²	46.4	17%	0.166	26%	0.262	C	S	.	.			trans	-110.2	134.9	-170.4	-64.5	-172.4	-177.4	-125.7	-5.5	110	D60 D131 R132 L133 S134 K135	D60-R64 IonicContact OD1-CZ 2.87Å; D60-R64 IonicContact OD1-NE 2.71Å; D60-R64 PolarHBondContact OD1-NE 3.34Å; D60-R64 VanDerWaalsContact OD1-NE 3.09Å; D60-R64 IonicContact OD1-NH2 3.34Å; D60-R64 IonicContact OD2-CZ 2.58Å; D60-R64 IonicContact OD2-NE 3.48Å; D60-R64 PolarHBondContact OD2-NE 3.09Å; D60-R64 IonicContact OD2-NH2 3.09Å; D60-R64 PolarHBondContact OD2-NH2 3.15Å; R64-D131 PolarHBondContact NH1-O 3.38Å; R64-R132 VanDerWaalsContact NH1-CA 3.25Å; R64-R132 PolarHBondContact NH1-O 2.99Å; R64-L133 WeakPolarHBondContact CB-O 3.42Å; R64-S134 WeakPolarHBondContact CD-O 3.43Å; R64-K135 HydrophobicContact CB-CG 3.89Å; R64-K135 WeakPolarHBondContact O-CE 2.83Å; R64-K135 WeakPolarHBondContact O-CG 3.06Å
65	P	94.1	Very high	90.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.256	C	S	.	.			trans	-94.2	-6.3	-170.6	34.7	-36.3	0	0	0	115.5	L76 E77 A86 L133	P65-L76 HydrophobicContact CB-CD1 3.91Å; P65-L76 HydrophobicContact CG-CD1 4.26Å; P65-E77 HydrophobicContact CB-CB 4.48Å; P65-E77 PolarHBondContact O-N 2.9Å; P65-A86 HydrophobicContact CG-CB 3.81Å; P65-L133 WeakPolarHBondContact CD-O 3.33Å; P65-L133 HydrophobicContact CG-CD2 4.25Å
66	L	94.8	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.4	-170.1	-56	-177.3	0	0	0	114.4	I74 F75 L76 L90 L130 L133 K135	L66-I74 HydrophobicContact CB-CG2 4.47Å; L66-I74 HydrophobicContact CD1-CG2 4.45Å; L66-I74 HydrophobicContact CD2-CG2 4.04Å; L66-F75 CarbonylContact C-O 3.59Å; L66-F75 VanDerWaalsContact CA-O 3.29Å; L66-F75 WeakPolarHBondContact CA-O 3.4Å; L66-L76 HydrophobicContact CD2-CB 3.79Å; L66-L76 HydrophobicContact CD2-CD1 3.47Å; L66-L76 VanDerWaalsContact CD2-CD1 3.47Å; L66-L76 HydrophobicContact CD2-CG 4.21Å; L66-L90 HydrophobicContact CD1-CD2 4.41Å; L66-L90 HydrophobicContact CD2-CD1 3.8Å; L66-L90 HydrophobicContact CD2-CG 4.49Å; L66-L130 HydrophobicContact CD1-CD2 4.38Å; L66-L133 WeakPolarHBondContact CB-O 3.3Å; L66-L133 HydrophobicContact CD1-CB 3.47Å; L66-L133 VanDerWaalsContact CD1-CB 3.47Å; L66-L133 HydrophobicContact CD1-CD1 4.19Å; L66-L133 HydrophobicContact CD1-CG 4.5Å; L66-L133 HydrophobicContact CG-CB 3.87Å; L66-L133 PolarHBondContact N-O 3.14Å; L66-K135 WeakPolarHBondContact O-CB 3.47Å; L66-K135 WeakPolarHBondContact O-CG 3.27Å; L66-K135 PolarHBondContact O-N 3.33Å
67	W	94.3	Very high	91	Very high	82 Å²	82	41.7 Å²	41.7	31%	0.311	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.6	157.5	-73.1	-71.5	0	0	0	109.7	I74 F75 E77 K135	W67-I74 CarbonylContact O-C 3.57Å; W67-I74 VanDerWaalsContact O-CA 3.31Å; W67-I74 WeakPolarHBondContact O-CA 3.21Å; W67-F75 HydrophobicContact CB-CB 4.26Å; W67-F75 HydrophobicContact CB-CD2 4.19Å; W67-F75 HydrophobicContact CE3-CB 4.19Å; W67-F75 PolarHBondContact N-O 3.09Å; W67-F75 PolarHBondContact O-N 3.17Å; W67-E77 WeakPolarHBondContact CH2-OE1 3.46Å; W67-E77 HydrophobicContact CZ3-CG 3.92Å; W67-E77 WeakPolarHBondContact CZ3-OE1 3.28Å; W67-K135 HydrophobicContact CD2-CD 4.11Å; W67-K135 HydrophobicContact CH2-CD 4.33Å; W67-K135 HydrophobicContact CZ2-CD 3.64Å
68	V	92.9	Very high	90.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.9	-179.1	-177.2	0	0	0	0	109	I74 L130 L138 I142	V68-I74 HydrophobicContact CG1-CG1 4.39Å; V68-I74 HydrophobicContact CG2-CG1 4.35Å; V68-I74 HydrophobicContact CG2-CG2 4.46Å; V68-L130 HydrophobicContact CG2-CD2 4.5Å; V68-L138 HydrophobicContact CB-CD2 4.05Å; V68-L138 HydrophobicContact CG1-CD2 4.19Å; V68-L138 HydrophobicContact CG2-CD2 3.92Å; V68-I142 HydrophobicContact CG1-CG1 4.27Å; V68-I142 HydrophobicContact CG1-CG2 4.26Å
69	A	90.5	Very high	90.9	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	24%	0.238	C	C	.	.			trans	-79.8	149	179.1	0	0	0	0	0	111.6	Y51 N71 G72 H73	Y51-A69 HydrophobicContact CD2-CB 4.05Å; Y51-A69 HydrophobicContact CE2-CB 3.71Å; A69-N71 WeakPolarHBondContact CB-OD1 3.33Å; A69-N71 PolarHBondContact O-N 2.72Å; A69-N71 VanDerWaalsContact O-N 3.13Å; A69-G72 PolarHBondContact O-N 3.44Å; A69-H73 HydrophobicContact CB-CB 4.27Å; A69-H73 WeakPolarHBondContact CB-O 3.28Å; A69-H73 PolarHBondContact N-O 3.46Å
70	P	86.6	Confident	91	Very high	15 Å²	15	37.9 Å²	37.9	10%	0.097	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.6	-178.8	24.7	-35.2	0	0	0	113.3	L37 L41 Y51 G72 P139	L37-P70 WeakPolarHBondContact CB-O 3.46Å; L37-P70 WeakPolarHBondContact CD1-O 3.46Å; L41-P70 HydrophobicContact CD1-CG 3.83Å; Y51-P70 HydrophobicContact CD1-CG 3.75Å; Y51-P70 HydrophobicContact CD2-CG 4.44Å; Y51-P70 HydrophobicContact CE1-CG 3.9Å; Y51-P70 HydrophobicContact CG-CG 4.05Å; P70-G72 PolarHBondContact O-N 2.83Å; P70-P139 HydrophobicContact CB-CB 4.11Å; P70-P139 HydrophobicContact CB-CG 4.22Å
71	N	83.9	Confident	91	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.6	176.8	68.6	-8.5	0	0	0	114.2	Y51 A69 H73	Y51-N71 PolarHBondContact OH-ND2 3Å; A69-N71 WeakPolarHBondContact CB-OD1 3.33Å; A69-N71 PolarHBondContact O-N 2.72Å; A69-N71 VanDerWaalsContact O-N 3.13Å; N71-H73 PolarHBondContact ND2-CD2 2.92Å; N71-H73 VanDerWaalsContact ND2-CD2 3.3Å; N71-H73 WeakPolarHBondContact OD1-CB 3.49Å; N71-H73 PolarHBondContact OD1-CD2 3.33Å; N71-H73 PolarHBondContact OD1-N 2.91Å; N71-H73 VanDerWaalsContact OD1-N 3.14Å
72	G	85.7	Confident	91.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	90.6	0.8	179.5	0	0	0	0	0	115.2	A69 P70 Q107 L108	A69-G72 PolarHBondContact O-N 3.44Å; P70-G72 PolarHBondContact O-N 2.83Å; G72-Q107 WeakPolarHBondContact O-CA 3.39Å; G72-L108 PolarHBondContact O-N 3.23Å
73	H	91.4	Very high	91.2	Very high	38 Å²	38	37.5 Å²	37.5	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.2	172.6	-73.9	-111.2	0	0	0	110.8	A69 N71 F75 L97 E105 Y106	A69-H73 HydrophobicContact CB-CB 4.27Å; A69-H73 WeakPolarHBondContact CB-O 3.28Å; A69-H73 PolarHBondContact N-O 3.46Å; N71-H73 PolarHBondContact ND2-CD2 2.92Å; N71-H73 VanDerWaalsContact ND2-CD2 3.3Å; N71-H73 WeakPolarHBondContact OD1-CB 3.49Å; N71-H73 PolarHBondContact OD1-CD2 3.33Å; N71-H73 PolarHBondContact OD1-N 2.91Å; N71-H73 VanDerWaalsContact OD1-N 3.14Å; H73-F75 HydrophobicContact CB-CE2 4.45Å; H73-F75 HydrophobicContact CB-CZ 4.31Å; H73-L97 VanDerWaalsContact CE1-CD1 3.41Å; H73-L97 WeakPolarHBondContact CE1-CD1 3.38Å; H73-E105 IonicContact CE1-OE1 3.61Å; H73-E105 PolarHBondContact CE1-OE1 3.48Å; H73-E105 VanDerWaalsContact CE1-OE1 3.27Å; H73-E105 IonicContact CG-OE1 3.6Å; H73-E105 IonicContact ND1-OE1 3.03Å; H73-E105 PolarHBondContact ND1-OE1 3.41Å; H73-Y106 CarbonylContact C-O 3.58Å; H73-Y106 WeakPolarHBondContact CA-O 3.42Å
74	I	94.2	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.6	175.7	-56.7	176.3	0	0	0	108.7	L66 W67 V68 L90 Y106 L108 L130	L66-I74 HydrophobicContact CB-CG2 4.47Å; L66-I74 HydrophobicContact CD1-CG2 4.45Å; L66-I74 HydrophobicContact CD2-CG2 4.04Å; W67-I74 CarbonylContact O-C 3.57Å; W67-I74 VanDerWaalsContact O-CA 3.31Å; W67-I74 WeakPolarHBondContact O-CA 3.21Å; V68-I74 HydrophobicContact CG1-CG1 4.39Å; V68-I74 HydrophobicContact CG2-CG1 4.35Å; V68-I74 HydrophobicContact CG2-CG2 4.46Å; I74-L90 HydrophobicContact CD1-CD2 3.83Å; I74-L90 HydrophobicContact CG2-CD1 3.9Å; I74-L90 HydrophobicContact CG2-CD2 4.06Å; I74-Y106 PolarHBondContact N-O 3.35Å; I74-Y106 PolarHBondContact O-N 2.81Å; I74-L108 HydrophobicContact CD1-CD1 3.88Å; I74-L108 HydrophobicContact CD1-CD2 3.91Å; I74-L108 HydrophobicContact CD1-CG 3.65Å; I74-L108 HydrophobicContact CG1-CD1 4.49Å; I74-L108 HydrophobicContact CG1-CG 4.32Å; I74-L130 HydrophobicContact CD1-CD2 4.18Å
75	F	95	Very high	91	Very high	72 Å²	72	42.8 Å²	42.8	32%	0.316	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.4	172.7	-54.4	-74	0	0	0	109.9	L66 W67 H73 I103 H104 E105	L66-F75 CarbonylContact C-O 3.59Å; L66-F75 VanDerWaalsContact CA-O 3.29Å; L66-F75 WeakPolarHBondContact CA-O 3.4Å; W67-F75 HydrophobicContact CB-CB 4.26Å; W67-F75 HydrophobicContact CB-CD2 4.19Å; W67-F75 HydrophobicContact CE3-CB 4.19Å; W67-F75 PolarHBondContact N-O 3.09Å; W67-F75 PolarHBondContact O-N 3.17Å; H73-F75 HydrophobicContact CB-CE2 4.45Å; H73-F75 HydrophobicContact CB-CZ 4.31Å; F75-I103 HydrophobicContact CB-CG2 4.1Å; F75-H104 CarbonylContact C-O 3.58Å; F75-H104 WeakPolarHBondContact CA-O 3.48Å; F75-E105 HydrophobicContact CD1-CB 4.2Å; F75-E105 HydrophobicContact CD1-CG 4.04Å; F75-E105 HydrophobicContact CE1-CB 4.26Å; F75-E105 HydrophobicContact CE1-CG 3.71Å
76	L	94.7	Very high	90.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.7	-179.1	167.5	66.8	0	0	0	110.4	P65 L66 Y83 A86 H87 L90 I103 H104 Y106	P65-L76 HydrophobicContact CB-CD1 3.91Å; P65-L76 HydrophobicContact CG-CD1 4.26Å; L66-L76 HydrophobicContact CD2-CB 3.79Å; L66-L76 HydrophobicContact CD2-CD1 3.47Å; L66-L76 VanDerWaalsContact CD2-CD1 3.47Å; L66-L76 HydrophobicContact CD2-CG 4.21Å; L76-Y83 HydrophobicContact CD1-CD2 4.26Å; L76-Y83 HydrophobicContact CD2-CD2 3.8Å; L76-Y83 HydrophobicContact CD2-CE2 3.62Å; L76-Y83 HydrophobicContact CG-CD2 4.05Å; L76-Y83 HydrophobicContact CG-CE2 4.2Å; L76-A86 HydrophobicContact CD1-CB 3.63Å; L76-H87 HydrophobicContact CD2-CB 4.07Å; L76-L90 HydrophobicContact CB-CD1 3.9Å; L76-L90 HydrophobicContact CD2-CD1 4.07Å; L76-L90 HydrophobicContact CG-CD1 4.43Å; L76-I103 CarbonylContact O-C 3.52Å; L76-I103 WeakPolarHBondContact O-CA 3.35Å; L76-H104 HydrophobicContact CB-CB 4.28Å; L76-H104 PolarHBondContact N-O 2.8Å; L76-H104 PolarHBondContact O-N 3.45Å; L76-Y106 HydrophobicContact CB-CD2 4.42Å; L76-Y106 HydrophobicContact CB-CE2 4.19Å; L76-Y106 HydrophobicContact CD2-CE2 3.98Å
77	E	94.4	Very high	90.5	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.2	174.1	-64.4	-176.9	152.2	0	0	111.9	P65 W67 F79 K135	P65-E77 HydrophobicContact CB-CB 4.48Å; P65-E77 PolarHBondContact O-N 2.9Å; W67-E77 WeakPolarHBondContact CH2-OE1 3.46Å; W67-E77 HydrophobicContact CZ3-CG 3.92Å; W67-E77 WeakPolarHBondContact CZ3-OE1 3.28Å; E77-F79 VanDerWaalsContact C-N 3.33Å; E77-F79 HydrophobicContact CB-CD1 4.38Å; E77-F79 HydrophobicContact CB-CD2 4.41Å; E77-F79 HydrophobicContact CB-CE1 3.9Å; E77-F79 HydrophobicContact CB-CE2 3.93Å; E77-F79 HydrophobicContact CB-CZ 3.67Å; E77-F79 HydrophobicContact CG-CE1 4.05Å; E77-F79 HydrophobicContact CG-CE2 4.14Å; E77-F79 HydrophobicContact CG-CZ 3.58Å; E77-F79 WeakPolarHBondContact OE1-CZ 3.1Å; E77-K135 IonicContact OE1-NZ 3.6Å; E77-K135 PolarHBondContact OE1-NZ 2.56Å; E77-K135 VanDerWaalsContact OE2-CE 3.23Å; E77-K135 WeakPolarHBondContact OE2-CE 3.15Å; E77-K135 IonicContact OE2-NZ 3.74Å; E77-K135 PolarHBondContact OE2-NZ 3.42Å
78	S	88.9	Confident	90.1	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.1	-178.6	72	0	0	0	0	114	S80 Y83 E101 F102	S78-S80 VanDerWaalsContact C-N 3.32Å; S78-Y83 VanDerWaalsContact CA-CD2 3.44Å; S78-E101 PolarHBondContact OG-O 2.9Å; S78-F102 PolarHBondContact N-O 3.02Å; S78-F102 VanDerWaalsContact OG-CA 3.26Å; S78-F102 WeakPolarHBondContact OG-CA 3.39Å; S78-F102 PolarHBondContact OG-O 3.22Å
79	F	91.3	Very high	89.9	Confident	126 Å²	126	43.9 Å²	43.9	55%	0.553	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3	-179.2	52.7	-97.2	0	0	0	113.6	E77 F102 I103	E77-F79 VanDerWaalsContact C-N 3.33Å; E77-F79 HydrophobicContact CB-CD1 4.38Å; E77-F79 HydrophobicContact CB-CD2 4.41Å; E77-F79 HydrophobicContact CB-CE1 3.9Å; E77-F79 HydrophobicContact CB-CE2 3.93Å; E77-F79 HydrophobicContact CB-CZ 3.67Å; E77-F79 HydrophobicContact CG-CE1 4.05Å; E77-F79 HydrophobicContact CG-CE2 4.14Å; E77-F79 HydrophobicContact CG-CZ 3.58Å; E77-F79 WeakPolarHBondContact OE1-CZ 3.1Å; F79-F102 HydrophobicContact CD1-CB 4.49Å; F79-I103 HydrophobicContact CE1-CG1 4.42Å
80	S	90.6	Very high	89.9	Confident	17 Å²	17	43.7 Å²	43.7	12%	0.119	22%	0.223	C	C	.	.	S	Bend	trans	-72.2	142	176.3	176.4	0	0	0	0	111.4	S78 I82 Y83	S78-S80 VanDerWaalsContact C-N 3.32Å; S80-I82 PolarHBondContact O-N 3.41Å; S80-I82 VanDerWaalsContact O-N 3.14Å; S80-I82 PolarHBondContact OG-N 2.87Å; S80-Y83 WeakPolarHBondContact O-CB 3.16Å; S80-Y83 PolarHBondContact O-N 3.38Å
81	P	90.6	Very high	89.8	Confident	132 Å²	132	44.4 Å²	44.4	86%	0.857	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	174.7	24.8	-34.1	0	0	0	113.3	Y83	P81-Y83 VanDerWaalsContact C-N 3.34Å
82	I	91.3	Very high	89.8	Confident	56 Å²	56	43.7 Å²	43.7	29%	0.287	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.8	-179.4	-51.7	170	0	0	0	111	S80 Q84 Q85 A86 L133	S80-I82 PolarHBondContact O-N 3.41Å; S80-I82 VanDerWaalsContact O-N 3.14Å; S80-I82 PolarHBondContact OG-N 2.87Å; I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; I82-Q85 HydrophobicContact CG2-CB 4.13Å; I82-Q85 PolarHBondContact O-N 3.4Å; I82-A86 PolarHBondContact O-N 3.36Å; I82-A86 VanDerWaalsContact O-N 3.12Å; I82-L133 HydrophobicContact CG2-CD2 4.04Å
83	Y	89.9	Confident	89.9	Confident	28 Å²	28	43.7 Å²	43.7	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-50.9	-46.5	-176.4	164.7	-103.5	0	0	0	113.3	L76 S78 S80 P81 Q85 A86 H87 H104	L76-Y83 HydrophobicContact CD1-CD2 4.26Å; L76-Y83 HydrophobicContact CD2-CD2 3.8Å; L76-Y83 HydrophobicContact CD2-CE2 3.62Å; L76-Y83 HydrophobicContact CG-CD2 4.05Å; L76-Y83 HydrophobicContact CG-CE2 4.2Å; S78-Y83 VanDerWaalsContact CA-CD2 3.44Å; S80-Y83 WeakPolarHBondContact O-CB 3.16Å; S80-Y83 PolarHBondContact O-N 3.38Å; P81-Y83 VanDerWaalsContact C-N 3.34Å; Y83-Q85 VanDerWaalsContact C-N 3.32Å; Y83-Q85 PolarHBondContact O-N 2.95Å; Y83-A86 PolarHBondContact O-N 3.43Å; Y83-H87 HydrophobicContact CD2-CB 4.36Å; Y83-H87 HydrophobicContact CE1-CB 4.35Å; Y83-H87 HydrophobicContact CE2-CB 3.97Å; Y83-H87 AromaticContact CZ-CD2 3.82Å; Y83-H87 AromaticContact CZ-CG 3.93Å; Y83-H87 WeakPolarHBondContact O-CB 3.05Å; Y83-H87 PolarHBondContact O-N 2.84Å; Y83-H87 PolarHBondContact OH-CD2 2.98Å; Y83-H87 PolarHBondContact OH-NE2 3.28Å; Y83-H104 AromaticContact CE2-CE1 3.79Å; Y83-H104 AromaticContact CE2-ND1 3.85Å; Y83-H104 AromaticContact CZ-CE1 3.81Å; Y83-H104 PolarHBondContact OH-CE1 3.1Å
84	Q	86.7	Confident	89.7	Confident	144 Å²	144	42.1 Å²	42.1	67%	0.673	22%	0.218	S	C	*	.	H	α-helix	trans	-60.2	-41.7	-175.8	-69.5	-174.6	-5.6	0	0	112.4	I82 D88	I82-Q84 VanDerWaalsContact C-N 3.32Å; I82-Q84 PolarHBondContact O-N 2.94Å; Q84-D88 WeakPolarHBondContact O-CB 3.16Å; Q84-D88 PolarHBondContact O-N 3.28Å
85	Q	89	Confident	89.2	Confident	103 Å²	103	44.8 Å²	44.8	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-69.9	-44.4	179.4	-64.5	169.5	5.2	0	0	110.8	I82 Y83 D88 F89 L234	I82-Q85 HydrophobicContact CG2-CB 4.13Å; I82-Q85 PolarHBondContact O-N 3.4Å; Y83-Q85 VanDerWaalsContact C-N 3.32Å; Y83-Q85 PolarHBondContact O-N 2.95Å; Q85-D88 PolarHBondContact O-N 2.86Å; Q85-F89 WeakPolarHBondContact O-CB 3.21Å; Q85-F89 PolarHBondContact O-N 2.94Å; Q85-L234 VanDerWaalsContact NE2-CD2 3.28Å
86	A	91.3	Very high	88.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-39.7	177.7	0	0	0	0	0	112	P65 L76 I82 Y83 F89 L90 L133	P65-A86 HydrophobicContact CG-CB 3.81Å; L76-A86 HydrophobicContact CD1-CB 3.63Å; I82-A86 PolarHBondContact O-N 3.36Å; I82-A86 VanDerWaalsContact O-N 3.12Å; Y83-A86 PolarHBondContact O-N 3.43Å; A86-F89 PolarHBondContact O-N 3.41Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 2.92Å; A86-L133 HydrophobicContact CB-CD1 4.04Å; A86-L133 HydrophobicContact CB-CD2 4.42Å
87	H	88.4	Confident	88.2	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-48.2	176.3	176.1	-105.3	0	0	0	112	L76 Y83 F89 L90 I91 Y106 N487 E490	L76-H87 HydrophobicContact CD2-CB 4.07Å; Y83-H87 HydrophobicContact CD2-CB 4.36Å; Y83-H87 HydrophobicContact CE1-CB 4.35Å; Y83-H87 HydrophobicContact CE2-CB 3.97Å; Y83-H87 AromaticContact CZ-CD2 3.82Å; Y83-H87 AromaticContact CZ-CG 3.93Å; Y83-H87 WeakPolarHBondContact O-CB 3.05Å; Y83-H87 PolarHBondContact O-N 2.84Å; Y83-H87 PolarHBondContact OH-CD2 2.98Å; Y83-H87 PolarHBondContact OH-NE2 3.28Å; H87-F89 VanDerWaalsContact C-N 3.29Å; H87-F89 PolarHBondContact O-N 3.49Å; H87-L90 PolarHBondContact O-N 3.37Å; H87-I91 WeakPolarHBondContact CE1-CD1 3.13Å; H87-I91 WeakPolarHBondContact ND1-CD1 3.37Å; H87-I91 WeakPolarHBondContact O-CG1 3.35Å; H87-I91 PolarHBondContact O-N 2.77Å; H87-Y106 PolarHBondContact CD2-OH 3.21Å; H87-N487 PolarHBondContact NE2-ND2 2.59Å; H87-E490 IonicContact CE1-OE1 3.48Å; H87-E490 PolarHBondContact CE1-OE1 3.19Å; H87-E490 IonicContact CE1-OE2 2.68Å; H87-E490 IonicContact ND1-OE1 2.62Å; H87-E490 IonicContact NE2-OE1 3.82Å
88	D	84.3	Confident	87.7	Confident	77 Å²	77	45.8 Å²	45.8	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-37.2	179.4	-84.3	0.8	0	0	0	112.3	Q84 Q85 K311	Q84-D88 WeakPolarHBondContact O-CB 3.16Å; Q84-D88 PolarHBondContact O-N 3.28Å; Q85-D88 PolarHBondContact O-N 2.86Å; D88-K311 IonicContact OD1-NZ 3.99Å; D88-K311 PolarHBondContact OD1-NZ 2.76Å; D88-K311 IonicContact OD2-NZ 2.92Å; D88-K311 PolarHBondContact OD2-NZ 3.33Å
89	F	89.3	Confident	87.4	Confident	25 Å²	25	44.9 Å²	44.9	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-50.7	172	178.4	-109.9	0	0	0	111.9	Q85 A86 H87 I91 A92 I93 I126 Y129 L130 L133	Q85-F89 WeakPolarHBondContact O-CB 3.21Å; Q85-F89 PolarHBondContact O-N 2.94Å; A86-F89 PolarHBondContact O-N 3.41Å; H87-F89 VanDerWaalsContact C-N 3.29Å; H87-F89 PolarHBondContact O-N 3.49Å; F89-I91 VanDerWaalsContact C-N 3.34Å; F89-I91 PolarHBondContact O-N 2.68Å; F89-A92 WeakPolarHBondContact O-CB 3.47Å; F89-A92 PolarHBondContact O-N 3.33Å; F89-I93 HydrophobicContact CD1-CD1 4Å; F89-I93 HydrophobicContact CD1-CG1 4.44Å; F89-I93 HydrophobicContact CE1-CD1 3.35Å; F89-I93 HydrophobicContact CE1-CG1 4.2Å; F89-I93 HydrophobicContact CE2-CD1 4.44Å; F89-I93 HydrophobicContact CE2-CG2 4.11Å; F89-I93 HydrophobicContact CZ-CD1 3.61Å; F89-I93 HydrophobicContact CZ-CG1 4.41Å; F89-I93 HydrophobicContact CZ-CG2 4.26Å; F89-I93 PolarHBondContact O-N 3.18Å; F89-I126 HydrophobicContact CZ-CG2 4.38Å; F89-Y129 HydrophobicContact CE2-CG 4.28Å; F89-L130 HydrophobicContact CE1-CD2 3.84Å; F89-L130 HydrophobicContact CE1-CG 3.82Å; F89-L130 HydrophobicContact CZ-CG 4.13Å; F89-L133 HydrophobicContact CD1-CD1 4.11Å
90	L	90.5	Very high	87	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-36.5	-179.6	-72.8	-171.7	0	0	0	113.1	L66 I74 L76 A86 H87 A92 I93 A94 Y106	L66-L90 HydrophobicContact CD1-CD2 4.41Å; L66-L90 HydrophobicContact CD2-CD1 3.8Å; L66-L90 HydrophobicContact CD2-CG 4.49Å; I74-L90 HydrophobicContact CD1-CD2 3.83Å; I74-L90 HydrophobicContact CG2-CD1 3.9Å; I74-L90 HydrophobicContact CG2-CD2 4.06Å; L76-L90 HydrophobicContact CB-CD1 3.9Å; L76-L90 HydrophobicContact CD2-CD1 4.07Å; L76-L90 HydrophobicContact CG-CD1 4.43Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.27Å; A86-L90 PolarHBondContact O-N 2.92Å; H87-L90 PolarHBondContact O-N 3.37Å; L90-A92 PolarHBondContact O-N 3.32Å; L90-I93 HydrophobicContact CD2-CD1 4.09Å; L90-I93 HydrophobicContact CD2-CG1 4.2Å; L90-I93 PolarHBondContact O-N 2.79Å; L90-A94 WeakPolarHBondContact O-CA 3.36Å; L90-A94 WeakPolarHBondContact O-CB 3.5Å; L90-A94 PolarHBondContact O-N 3.12Å; L90-Y106 HydrophobicContact CB-CD1 4.2Å; L90-Y106 HydrophobicContact CB-CD2 4.41Å; L90-Y106 HydrophobicContact CB-CE1 4.2Å; L90-Y106 HydrophobicContact CB-CE2 4.39Å; L90-Y106 HydrophobicContact CB-CG 4.32Å; L90-Y106 HydrophobicContact CD1-CD2 3.48Å; L90-Y106 VanDerWaalsContact CD1-CD2 3.48Å; L90-Y106 HydrophobicContact CD1-CE2 3.75Å; L90-Y106 HydrophobicContact CD1-CG 3.98Å
91	I	84.1	Confident	86.6	Confident	30 Å²	30	47 Å²	47	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-27.8	174.5	-70.6	168.6	0	0	0	111.7	H87 F89	H87-I91 WeakPolarHBondContact CE1-CD1 3.13Å; H87-I91 WeakPolarHBondContact ND1-CD1 3.37Å; H87-I91 WeakPolarHBondContact O-CG1 3.35Å; H87-I91 PolarHBondContact O-N 2.77Å; F89-I91 VanDerWaalsContact C-N 3.34Å; F89-I91 PolarHBondContact O-N 2.68Å
92	A	83.2	Confident	86.5	Confident	20 Å²	20	46.6 Å²	46.6	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-79.4	-34.1	177.6	0	0	0	0	0	112.8	F89 L90 A116 L121	F89-A92 WeakPolarHBondContact O-CB 3.47Å; F89-A92 PolarHBondContact O-N 3.33Å; L90-A92 PolarHBondContact O-N 3.32Å; A92-A116 WeakPolarHBondContact O-CB 3.21Å; A92-L121 HydrophobicContact CB-CD1 3.86Å
93	I	88.5	Confident	86.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-108.8	-18.1	-169.9	67	159.4	0	0	0	115.3	F89 L90 L108 S112 A116 L121 I126 L130	F89-I93 HydrophobicContact CD1-CD1 4Å; F89-I93 HydrophobicContact CD1-CG1 4.44Å; F89-I93 HydrophobicContact CE1-CD1 3.35Å; F89-I93 HydrophobicContact CE1-CG1 4.2Å; F89-I93 HydrophobicContact CE2-CD1 4.44Å; F89-I93 HydrophobicContact CE2-CG2 4.11Å; F89-I93 HydrophobicContact CZ-CD1 3.61Å; F89-I93 HydrophobicContact CZ-CG1 4.41Å; F89-I93 HydrophobicContact CZ-CG2 4.26Å; F89-I93 PolarHBondContact O-N 3.18Å; L90-I93 HydrophobicContact CD2-CD1 4.09Å; L90-I93 HydrophobicContact CD2-CG1 4.2Å; L90-I93 PolarHBondContact O-N 2.79Å; I93-L108 HydrophobicContact CD1-CD2 4.15Å; I93-L108 HydrophobicContact CG1-CD2 4.38Å; I93-S112 VanDerWaalsContact O-CB 3.22Å; I93-S112 WeakPolarHBondContact O-CB 3.46Å; I93-S112 PolarHBondContact O-OG 3.08Å; I93-A116 HydrophobicContact CB-CB 4.43Å; I93-A116 HydrophobicContact CG2-CB 3.89Å; I93-L121 HydrophobicContact CG2-CD1 3.92Å; I93-I126 HydrophobicContact CD1-CG2 4.33Å; I93-I126 HydrophobicContact CG2-CD1 4.46Å; I93-I126 HydrophobicContact CG2-CG1 4.29Å; I93-I126 HydrophobicContact CG2-CG2 4.35Å; I93-L130 HydrophobicContact CD1-CD1 4.12Å; I93-L130 HydrophobicContact CD1-CD2 3.84Å; I93-L130 HydrophobicContact CD1-CG 4.04Å
94	A	88	Confident	86.5	Confident	6 Å²	6	46.1 Å²	46.1	5%	0.05	23%	0.233	C	C	.	.	S	Bend	trans	-136.9	156.3	-170.2	0	0	0	0	0	112	L90 Y106 L108	L90-A94 WeakPolarHBondContact O-CA 3.36Å; L90-A94 WeakPolarHBondContact O-CB 3.5Å; L90-A94 PolarHBondContact O-N 3.12Å; A94-Y106 HydrophobicContact CB-CD1 4.35Å; A94-L108 HydrophobicContact CB-CD2 3.94Å
95	E	82.3	Confident	86.8	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.8	175.1	-70.5	176.2	-145.8	0	0	110.7	Y106 Q107 T109	E95-Y106 CarbonylContact O-C 3.58Å; E95-Y106 VanDerWaalsContact O-CA 3.28Å; E95-Y106 WeakPolarHBondContact O-CA 3.38Å; E95-Q107 PolarHBondContact N-O 3.09Å; E95-Q107 PolarHBondContact O-N 3.49Å; E95-T109 HydrophobicContact CG-CG2 4.48Å; E95-T109 PolarHBondContact OE1-OG1 2.72Å
96	P	85.2	Confident	86.9	Confident	27 Å²	27	36.5 Å²	36.5	18%	0.175	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.1	175.7	28.7	-33.9	0	0	0	111.1	R99 Y106 E485	P96-R99 HydrophobicContact CB-CG 4.45Å; P96-Y106 HydrophobicContact CB-CD1 3.97Å; P96-Y106 HydrophobicContact CB-CE1 3.75Å; P96-E485 WeakPolarHBondContact CG-OE2 3.24Å
97	L	83.4	Confident	86.8	Confident	61 Å²	61	39.6 Å²	39.6	32%	0.319	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-53.8	172.5	-67.1	-177.6	0	0	0	111.4	H73 E105 Q107	H73-L97 VanDerWaalsContact CE1-CD1 3.41Å; H73-L97 WeakPolarHBondContact CE1-CD1 3.38Å; L97-E105 HydrophobicContact CB-CB 4.42Å; L97-E105 HydrophobicContact CB-CG 4.15Å; L97-E105 HydrophobicContact CD1-CG 4.12Å; L97-E105 PolarHBondContact N-O 3.47Å; L97-Q107 HydrophobicContact CD1-CB 3.82Å; L97-Q107 HydrophobicContact CD2-CB 4.28Å; L97-Q107 HydrophobicContact CG-CB 3.93Å
98	C	84.4	Confident	86.8	Confident	22 Å²	22	39.9 Å²	39.9	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.1	-177.1	-55.7	0	0	0	0	110.1	E105 N677	C98-E105 HydrophobicContact CB-CB 3.99Å; C98-E105 PolarHBondContact N-O 3.12Å; C98-E105 PolarHBondContact O-N 2.81Å; C98-E105 PolarHBondContact SG-OE2 2.79Å; C98-E105 VanDerWaalsContact SG-OE2 3.37Å; C98-N677 WeakPolarHBondContact CA-O 3.38Å
99	R	83.7	Confident	86.7	Confident	10 Å²	10	37.3 Å²	37.3	4%	0.038	19%	0.191	C	C	.	.			trans	-132.5	68.5	176.9	-66.3	-179.9	-68.9	-158.7	-8.7	111.1	P96 E485 A486 M489 N677	P96-R99 HydrophobicContact CB-CG 4.45Å; R99-E485 IonicContact CZ-OE1 3.06Å; R99-E485 IonicContact NH1-OE1 2.76Å; R99-E485 IonicContact NH2-OE1 2.98Å; R99-E485 PolarHBondContact NH2-OE1 2.86Å; R99-A486 PolarHBondContact NH1-O 3.27Å; R99-M489 HydrophobicContact CB-CE 4.16Å; R99-M489 WeakPolarHBondContact O-CE 3.29Å; R99-N677 PolarHBondContact N-O 3.02Å
100	P	82.1	Confident	86.3	Confident	50 Å²	50	36.3 Å²	36.3	33%	0.325	19%	0.187	S	C	.	.			trans	-75.1	174.9	169.9	36.5	-37.7	0	0	0	110.7	F102 I103 H104 M489	P100-F102 PolarHBondContact O-N 2.75Å; P100-I103 WeakPolarHBondContact CD-O 3.46Å; P100-I103 WeakPolarHBondContact CG-O 3.38Å; P100-H104 PolarHBondContact O-CD2 3.41Å; P100-H104 PolarHBondContact O-NE2 3.34Å; P100-H104 VanDerWaalsContact O-NE2 3.12Å; P100-M489 WeakPolarHBondContact O-CE 3.41Å
101	E	82.1	Confident	85.6	Confident	137 Å²	137	37.9 Å²	37.9	64%	0.64	19%	0.193	S	C	*	.	S	Bend	trans	-58.2	-38.1	-172.4	-171.5	173.5	-174.4	0	0	114.9	S78	S78-E101 PolarHBondContact OG-O 2.9Å
102	F	88	Confident	85.5	Confident	125 Å²	125	36.9 Å²	36.9	55%	0.548	19%	0.189	S	C	.	.	S	Bend	trans	-105.5	-40.4	-169	-61.2	-65.8	0	0	0	115.7	S78 F79 P100	S78-F102 PolarHBondContact N-O 3.02Å; S78-F102 VanDerWaalsContact OG-CA 3.26Å; S78-F102 WeakPolarHBondContact OG-CA 3.39Å; S78-F102 PolarHBondContact OG-O 3.22Å; F79-F102 HydrophobicContact CD1-CB 4.49Å; P100-F102 PolarHBondContact O-N 2.75Å
103	I	91.4	Very high	85.6	Confident	71 Å²	71	35.9 Å²	35.9	36%	0.364	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	112.3	-173.4	-61.2	174	0	0	0	109.2	F75 L76 F79 P100	F75-I103 HydrophobicContact CB-CG2 4.1Å; L76-I103 CarbonylContact O-C 3.52Å; L76-I103 WeakPolarHBondContact O-CA 3.35Å; F79-I103 HydrophobicContact CE1-CG1 4.42Å; P100-I103 WeakPolarHBondContact CD-O 3.46Å; P100-I103 WeakPolarHBondContact CG-O 3.38Å
104	H	90.9	Very high	85	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147	177.3	-60	-179.6	0	0	0	110.1	F75 L76 Y83 P100 Y106 M489	F75-H104 CarbonylContact C-O 3.58Å; F75-H104 WeakPolarHBondContact CA-O 3.48Å; L76-H104 HydrophobicContact CB-CB 4.28Å; L76-H104 PolarHBondContact N-O 2.8Å; L76-H104 PolarHBondContact O-N 3.45Å; Y83-H104 AromaticContact CE2-CE1 3.79Å; Y83-H104 AromaticContact CE2-ND1 3.85Å; Y83-H104 AromaticContact CZ-CE1 3.81Å; Y83-H104 PolarHBondContact OH-CE1 3.1Å; P100-H104 PolarHBondContact O-CD2 3.41Å; P100-H104 PolarHBondContact O-NE2 3.34Å; P100-H104 VanDerWaalsContact O-NE2 3.12Å; H104-Y106 HydrophobicContact CB-CD2 4.29Å; H104-Y106 HydrophobicContact CB-CE2 3.61Å; H104-M489 VanDerWaalsContact NE2-CE 3.34Å; H104-M489 WeakPolarHBondContact NE2-CE 3.31Å
105	E	92.4	Very high	84.5	Confident	43 Å²	43	36.6 Å²	36.6	20%	0.201	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.9	177.1	-174.9	-177.1	-174.2	0	0	109.4	H73 F75 L97 C98	H73-E105 IonicContact CE1-OE1 3.61Å; H73-E105 PolarHBondContact CE1-OE1 3.48Å; H73-E105 VanDerWaalsContact CE1-OE1 3.27Å; H73-E105 IonicContact CG-OE1 3.6Å; H73-E105 IonicContact ND1-OE1 3.03Å; H73-E105 PolarHBondContact ND1-OE1 3.41Å; F75-E105 HydrophobicContact CD1-CB 4.2Å; F75-E105 HydrophobicContact CD1-CG 4.04Å; F75-E105 HydrophobicContact CE1-CB 4.26Å; F75-E105 HydrophobicContact CE1-CG 3.71Å; L97-E105 HydrophobicContact CB-CB 4.42Å; L97-E105 HydrophobicContact CB-CG 4.15Å; L97-E105 HydrophobicContact CD1-CG 4.12Å; L97-E105 PolarHBondContact N-O 3.47Å; C98-E105 HydrophobicContact CB-CB 3.99Å; C98-E105 PolarHBondContact N-O 3.12Å; C98-E105 PolarHBondContact O-N 2.81Å; C98-E105 PolarHBondContact SG-OE2 2.79Å; C98-E105 VanDerWaalsContact SG-OE2 3.37Å
106	Y	91.5	Very high	84.5	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.3	176.5	-66.5	-95.5	0	0	0	110.1	H73 I74 L76 H87 L90 A94 E95 P96 H104	H73-Y106 CarbonylContact C-O 3.58Å; H73-Y106 WeakPolarHBondContact CA-O 3.42Å; I74-Y106 PolarHBondContact N-O 3.35Å; I74-Y106 PolarHBondContact O-N 2.81Å; L76-Y106 HydrophobicContact CB-CD2 4.42Å; L76-Y106 HydrophobicContact CB-CE2 4.19Å; L76-Y106 HydrophobicContact CD2-CE2 3.98Å; H87-Y106 PolarHBondContact CD2-OH 3.21Å; L90-Y106 HydrophobicContact CB-CD1 4.2Å; L90-Y106 HydrophobicContact CB-CD2 4.41Å; L90-Y106 HydrophobicContact CB-CE1 4.2Å; L90-Y106 HydrophobicContact CB-CE2 4.39Å; L90-Y106 HydrophobicContact CB-CG 4.32Å; L90-Y106 HydrophobicContact CD1-CD2 3.48Å; L90-Y106 VanDerWaalsContact CD1-CD2 3.48Å; L90-Y106 HydrophobicContact CD1-CE2 3.75Å; L90-Y106 HydrophobicContact CD1-CG 3.98Å; A94-Y106 HydrophobicContact CB-CD1 4.35Å; E95-Y106 CarbonylContact O-C 3.58Å; E95-Y106 VanDerWaalsContact O-CA 3.28Å; E95-Y106 WeakPolarHBondContact O-CA 3.38Å; P96-Y106 HydrophobicContact CB-CD1 3.97Å; P96-Y106 HydrophobicContact CB-CE1 3.75Å; H104-Y106 HydrophobicContact CB-CD2 4.29Å; H104-Y106 HydrophobicContact CB-CE2 3.61Å
107	Q	89.7	Confident	84.4	Confident	65 Å²	65	34.2 Å²	34.2	30%	0.304	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.4	175	-172.6	172.8	18.6	0	0	110.1	G72 E95 L97 T109	G72-Q107 WeakPolarHBondContact O-CA 3.39Å; E95-Q107 PolarHBondContact N-O 3.09Å; E95-Q107 PolarHBondContact O-N 3.49Å; L97-Q107 HydrophobicContact CD1-CB 3.82Å; L97-Q107 HydrophobicContact CD2-CB 4.28Å; L97-Q107 HydrophobicContact CG-CB 3.93Å; Q107-T109 HydrophobicContact CG-CG2 4.26Å
108	L	88.8	Confident	83.8	Confident	9 Å²	9	32 Å²	32	5%	0.047	16%	0.164	C	C	.	.			trans	-74.7	122.9	167.3	-69	174.7	0	0	0	109.1	G72 I74 I93 A94 L113 I142	G72-L108 PolarHBondContact O-N 3.23Å; I74-L108 HydrophobicContact CD1-CD1 3.88Å; I74-L108 HydrophobicContact CD1-CD2 3.91Å; I74-L108 HydrophobicContact CD1-CG 3.65Å; I74-L108 HydrophobicContact CG1-CD1 4.49Å; I74-L108 HydrophobicContact CG1-CG 4.32Å; I93-L108 HydrophobicContact CD1-CD2 4.15Å; I93-L108 HydrophobicContact CG1-CD2 4.38Å; A94-L108 HydrophobicContact CB-CD2 3.94Å; L108-L113 HydrophobicContact CD2-CD2 4.24Å; L108-I142 HydrophobicContact CD1-CD1 4.47Å; L108-I142 HydrophobicContact CD1-CG2 4.08Å
109	T	81.9	Confident	83.3	Confident	24 Å²	24	33.9 Å²	33.9	15%	0.147	17%	0.174	C	C	.	.			trans	-120.4	156	173.1	72.2	0	0	0	0	108.8	E95 Q107 Y111 S112 L113	E95-T109 HydrophobicContact CG-CG2 4.48Å; E95-T109 PolarHBondContact OE1-OG1 2.72Å; Q107-T109 HydrophobicContact CG-CG2 4.26Å; T109-Y111 PolarHBondContact O-N 2.8Å; T109-S112 PolarHBondContact N-OG 3.28Å; T109-S112 PolarHBondContact O-N 3.01Å; T109-S112 PolarHBondContact O-OG 3.23Å; T109-S112 WeakPolarHBondContact OG1-CB 3.25Å; T109-S112 PolarHBondContact OG1-N 2.84Å; T109-S112 PolarHBondContact OG1-OG 2.99Å; T109-L113 PolarHBondContact O-N 3.14Å; T109-L113 VanDerWaalsContact O-N 3.14Å
110	A	80	Confident	82.9	Confident	3 Å²	3	35.9 Å²	35.9	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-40.2	174.5	0	0	0	0	0	110.6	A33 S112 L113 Y114 F145	A33-A110 HydrophobicContact CB-CB 3.98Å; A110-S112 PolarHBondContact O-N 3.33Å; A110-L113 PolarHBondContact O-N 3.22Å; A110-Y114 HydrophobicContact CB-CE2 3.85Å; A110-Y114 WeakPolarHBondContact O-CB 3.48Å; A110-Y114 WeakPolarHBondContact O-CD1 3.45Å; A110-Y114 WeakPolarHBondContact O-CD2 3.44Å; A110-Y114 PolarHBondContact O-N 3.19Å; A110-F145 HydrophobicContact CB-CZ 4.35Å
111	Y	76.9	Confident	83	Confident	33 Å²	33	36.3 Å²	36.3	13%	0.129	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-37.8	178.2	-61.9	-73	0	0	0	113.9	T109 Y114 A115 N476	T109-Y111 PolarHBondContact O-N 2.8Å; Y111-Y114 HydrophobicContact CD1-CD2 4.24Å; Y111-Y114 WeakPolarHBondContact O-CB 3.44Å; Y111-A115 WeakPolarHBondContact O-CB 3.27Å; Y111-A115 PolarHBondContact O-N 3.22Å; Y111-N476 HydrophobicContact CD1-CB 3.78Å; Y111-N476 HydrophobicContact CE1-CB 3.96Å; Y111-N476 HydrophobicContact CG-CB 4.26Å
112	S	80.7	Confident	83.2	Confident	9 Å²	9	35 Å²	35	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-38.6	176.7	70.5	0	0	0	0	111.5	I93 T109 A110 A115 A116	I93-S112 VanDerWaalsContact O-CB 3.22Å; I93-S112 WeakPolarHBondContact O-CB 3.46Å; I93-S112 PolarHBondContact O-OG 3.08Å; T109-S112 PolarHBondContact N-OG 3.28Å; T109-S112 PolarHBondContact O-N 3.01Å; T109-S112 PolarHBondContact O-OG 3.23Å; T109-S112 WeakPolarHBondContact OG1-CB 3.25Å; T109-S112 PolarHBondContact OG1-N 2.84Å; T109-S112 PolarHBondContact OG1-OG 2.99Å; A110-S112 PolarHBondContact O-N 3.33Å; S112-A115 WeakPolarHBondContact O-CB 3.22Å; S112-A115 PolarHBondContact O-N 3.02Å; S112-A116 PolarHBondContact O-N 2.91Å
113	L	84.7	Confident	83.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-40	174.5	-68.5	175.1	0	0	0	112.1	L108 T109 A110 A116 V117 F145 I146 C149	L108-L113 HydrophobicContact CD2-CD2 4.24Å; T109-L113 PolarHBondContact O-N 3.14Å; T109-L113 VanDerWaalsContact O-N 3.14Å; A110-L113 PolarHBondContact O-N 3.22Å; L113-A116 WeakPolarHBondContact O-CB 3.3Å; L113-A116 PolarHBondContact O-N 3.14Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.06Å; L113-F145 HydrophobicContact CD1-CD1 3.88Å; L113-F145 HydrophobicContact CD1-CE1 3.59Å; L113-I146 HydrophobicContact CD1-CG1 4.04Å; L113-I146 HydrophobicContact CD2-CG1 4.29Å; L113-C149 HydrophobicContact CB-CB 4.21Å; L113-C149 HydrophobicContact CD1-CB 3.99Å
114	Y	77.4	Confident	83.1	Confident	8 Å²	8	35.2 Å²	35.2	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-48.9	170.2	-69.2	-22.4	0	0	0	111.3	A110 Y111 A116 V117 S118 C149 Y153 P279	A110-Y114 HydrophobicContact CB-CE2 3.85Å; A110-Y114 WeakPolarHBondContact O-CB 3.48Å; A110-Y114 WeakPolarHBondContact O-CD1 3.45Å; A110-Y114 WeakPolarHBondContact O-CD2 3.44Å; A110-Y114 PolarHBondContact O-N 3.19Å; Y111-Y114 HydrophobicContact CD1-CD2 4.24Å; Y111-Y114 WeakPolarHBondContact O-CB 3.44Å; Y114-A116 VanDerWaalsContact C-N 3.29Å; Y114-A116 PolarHBondContact O-N 3.12Å; Y114-V117 PolarHBondContact O-N 2.96Å; Y114-S118 PolarHBondContact O-N 2.95Å; Y114-C149 HydrophobicContact CE1-CB 4.02Å; Y114-C149 VanDerWaalsContact CE1-O 3.22Å; Y114-C149 WeakPolarHBondContact CE1-O 3.22Å; Y114-Y153 AromaticContact CD1-CD2 3.16Å; Y114-Y153 HydrophobicContact CD1-CD2 3.16Å; Y114-Y153 AromaticContact CD1-CE2 3.85Å; Y114-Y153 HydrophobicContact CD1-CE2 3.85Å; Y114-Y153 AromaticContact CD1-CG 3.59Å; Y114-Y153 HydrophobicContact CD1-CG 3.59Å; Y114-Y153 HydrophobicContact CD2-CD2 4.24Å; Y114-Y153 HydrophobicContact CD2-CE2 4.23Å; Y114-Y153 AromaticContact CE1-CD2 3.91Å; Y114-Y153 HydrophobicContact CE1-CD2 3.91Å; Y114-Y153 HydrophobicContact CE1-CG 4.4Å; Y114-Y153 AromaticContact CG-CD2 3.37Å; Y114-Y153 HydrophobicContact CG-CD2 3.37Å; Y114-Y153 AromaticContact CG-CE2 3.52Å; Y114-Y153 HydrophobicContact CG-CE2 3.52Å; Y114-Y153 HydrophobicContact CG-CG 4.1Å; Y114-Y153 WeakPolarHBondContact O-CD1 3.43Å; Y114-Y153 WeakPolarHBondContact O-CE1 3.27Å; Y114-Y153 VanDerWaalsContact O-CZ 3.24Å; Y114-Y153 PolarHBondContact O-OH 2.93Å; Y114-P279 HydrophobicContact CD2-CG 4.48Å; Y114-P279 HydrophobicContact CE2-CG 4.49Å
115	A	77.2	Confident	83.1	Confident	13 Å²	13	36.1 Å²	36.1	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-41.2	175.8	0	0	0	0	0	112.2	Y111 S112 S118 V119 P481	Y111-A115 WeakPolarHBondContact O-CB 3.27Å; Y111-A115 PolarHBondContact O-N 3.22Å; S112-A115 WeakPolarHBondContact O-CB 3.22Å; S112-A115 PolarHBondContact O-N 3.02Å; A115-S118 WeakPolarHBondContact O-CB 3.19Å; A115-S118 PolarHBondContact O-N 2.96Å; A115-V119 WeakPolarHBondContact O-CG2 3.48Å; A115-V119 PolarHBondContact O-N 3.38Å; A115-V119 VanDerWaalsContact O-N 3.11Å; A115-P481 HydrophobicContact CB-CB 3.65Å; A115-P481 HydrophobicContact CB-CG 4.33Å
116	A	82.8	Confident	83	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-47.1	178.1	0	0	0	0	0	112.6	A92 I93 S112 L113 Y114 S118 V119 G120 L121 I126	A92-A116 WeakPolarHBondContact O-CB 3.21Å; I93-A116 HydrophobicContact CB-CB 4.43Å; I93-A116 HydrophobicContact CG2-CB 3.89Å; S112-A116 PolarHBondContact O-N 2.91Å; L113-A116 WeakPolarHBondContact O-CB 3.3Å; L113-A116 PolarHBondContact O-N 3.14Å; Y114-A116 VanDerWaalsContact C-N 3.29Å; Y114-A116 PolarHBondContact O-N 3.12Å; A116-S118 VanDerWaalsContact C-N 3.33Å; A116-S118 PolarHBondContact O-N 2.95Å; A116-V119 WeakPolarHBondContact O-CB 3.02Å; A116-V119 PolarHBondContact O-N 2.83Å; A116-G120 PolarHBondContact O-N 3.12Å; A116-L121 HydrophobicContact CB-CB 4.47Å; A116-L121 HydrophobicContact CB-CD1 4.01Å; A116-L121 WeakPolarHBondContact O-CB 3.49Å; A116-L121 PolarHBondContact O-N 3.3Å; A116-I126 HydrophobicContact CB-CD1 4.2Å
117	V	81.5	Confident	83.1	Confident	31 Å²	31	35.7 Å²	35.7	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-38.1	178.3	177.2	0	0	0	0	110.8	L113 Y114 V119 G120 T150 Y153	L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.06Å; Y114-V117 PolarHBondContact O-N 2.96Å; V117-V119 PolarHBondContact O-N 3.47Å; V117-G120 PolarHBondContact O-N 3.34Å; V117-T150 HydrophobicContact CG2-CG2 3.46Å; V117-T150 VanDerWaalsContact CG2-CG2 3.46Å; V117-Y153 HydrophobicContact CB-CD1 3.74Å; V117-Y153 HydrophobicContact CB-CE1 4.38Å; V117-Y153 HydrophobicContact CG1-CD1 3.81Å
118	S	72.2	Confident	83.3	Confident	16 Å²	16	36.4 Å²	36.4	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-35.1	170.9	-88.2	0	0	0	0	112.4	Y114 A115 A116 G120 Y153 L281 R323	Y114-S118 PolarHBondContact O-N 2.95Å; A115-S118 WeakPolarHBondContact O-CB 3.19Å; A115-S118 PolarHBondContact O-N 2.96Å; A116-S118 VanDerWaalsContact C-N 3.33Å; A116-S118 PolarHBondContact O-N 2.95Å; S118-G120 PolarHBondContact O-N 2.67Å; S118-Y153 WeakPolarHBondContact OG-CE1 3.44Å; S118-Y153 PolarHBondContact OG-OH 3.26Å; S118-L281 VanDerWaalsContact OG-CD2 3.23Å; S118-L281 WeakPolarHBondContact OG-CD2 3.15Å; S118-R323 PolarHBondContact O-NE 3.46Å; S118-R323 PolarHBondContact O-NH1 3Å; S118-R323 PolarHBondContact O-NH2 2.9Å
119	V	72.4	Confident	83.5	Confident	60 Å²	60	39.1 Å²	39.1	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-71.1	-21.7	179.5	174.3	0	0	0	0	112.4	A115 A116 V117	A115-V119 WeakPolarHBondContact O-CG2 3.48Å; A115-V119 PolarHBondContact O-N 3.38Å; A115-V119 VanDerWaalsContact O-N 3.11Å; A116-V119 WeakPolarHBondContact O-CB 3.02Å; A116-V119 PolarHBondContact O-N 2.83Å; V117-V119 PolarHBondContact O-N 3.47Å
120	G	77	Confident	84	Confident	53 Å²	53	38 Å²	38	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.9	3.9	-176.1	0	0	0	0	0	113.4	A116 V117 S118 Q122	A116-G120 PolarHBondContact O-N 3.12Å; V117-G120 PolarHBondContact O-N 3.34Å; S118-G120 PolarHBondContact O-N 2.67Å; G120-Q122 PolarHBondContact O-N 3.02Å
121	L	83	Confident	84.6	Confident	58 Å²	58	40.8 Å²	40.8	30%	0.304	22%	0.222	S	C	.	.			trans	-74.1	119	178.3	-65.4	174.7	0	0	0	110.7	A92 I93 A116 I126	A92-L121 HydrophobicContact CB-CD1 3.86Å; I93-L121 HydrophobicContact CG2-CD1 3.92Å; A116-L121 HydrophobicContact CB-CB 4.47Å; A116-L121 HydrophobicContact CB-CD1 4.01Å; A116-L121 WeakPolarHBondContact O-CB 3.49Å; A116-L121 PolarHBondContact O-N 3.3Å; L121-I126 HydrophobicContact CB-CD1 4.11Å; L121-I126 HydrophobicContact CB-CG1 4.07Å
122	Q	86.5	Confident	85.3	Confident	110 Å²	110	44.1 Å²	44.1	51%	0.514	23%	0.234	S	C	.	.			trans	-75.7	147.7	176.9	-62.2	-175.2	1.5	0	0	111.9	G120 K124 G125 I126	G120-Q122 PolarHBondContact O-N 3.02Å; Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 3.21Å; Q122-G125 PolarHBondContact O-N 2.98Å; Q122-G125 VanDerWaalsContact O-N 3.09Å; Q122-I126 PolarHBondContact O-N 3.14Å
123	T	87.9	Confident	85.8	Confident	30 Å²	30	44.6 Å²	44.6	18%	0.184	24%	0.236	C	C	.	.	H	α-helix	trans	-50.3	-47	178.7	-50	0	0	0	0	113.2	I126 I127 I146 Q147 T150	T123-I126 PolarHBondContact O-N 3.17Å; T123-I127 HydrophobicContact CG2-CD1 4.08Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.18Å; T123-I146 HydrophobicContact CG2-CG2 4.45Å; T123-Q147 HydrophobicContact CG2-CG 4.12Å; T123-T150 WeakPolarHBondContact CB-OG1 3.24Å; T123-T150 WeakPolarHBondContact CG2-OG1 3.46Å; T123-T150 WeakPolarHBondContact OG1-CB 3.37Å; T123-T150 PolarHBondContact OG1-OG1 3.33Å
124	K	90.3	Very high	86.2	Confident	170 Å²	170	44.6 Å²	44.6	74%	0.739	24%	0.236	S	C	*	.	H	α-helix	trans	-65.1	-42.8	-178.6	-68.7	-176.8	-179.9	177.5	0	111.1	Q122 I126 I127 E128	Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 3.21Å; K124-I126 PolarHBondContact O-N 3.36Å; K124-I127 PolarHBondContact O-N 3.26Å; K124-E128 WeakPolarHBondContact O-CB 3.34Å; K124-E128 PolarHBondContact O-N 3.38Å
125	G	90.6	Very high	87	Confident	23 Å²	23	45 Å²	45	24%	0.237	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-49.4	175.1	0	0	0	0	0	111.5	Q122 I127 E128 Y129	Q122-G125 PolarHBondContact O-N 2.98Å; Q122-G125 VanDerWaalsContact O-N 3.09Å; G125-I127 VanDerWaalsContact C-N 3.31Å; G125-I127 PolarHBondContact O-N 2.96Å; G125-E128 PolarHBondContact O-N 3.11Å; G125-Y129 WeakPolarHBondContact O-CB 3.32Å; G125-Y129 VanDerWaalsContact O-CD2 3.24Å; G125-Y129 WeakPolarHBondContact O-CD2 3.05Å; G125-Y129 PolarHBondContact O-N 3.47Å
126	I	91	Very high	87.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-56.5	-46.4	180	-63.1	170.1	0	0	0	111.4	F89 I93 A116 L121 Q122 T123 K124 L130 I146 T150	F89-I126 HydrophobicContact CZ-CG2 4.38Å; I93-I126 HydrophobicContact CD1-CG2 4.33Å; I93-I126 HydrophobicContact CG2-CD1 4.46Å; I93-I126 HydrophobicContact CG2-CG1 4.29Å; I93-I126 HydrophobicContact CG2-CG2 4.35Å; A116-I126 HydrophobicContact CB-CD1 4.2Å; L121-I126 HydrophobicContact CB-CD1 4.11Å; L121-I126 HydrophobicContact CB-CG1 4.07Å; Q122-I126 PolarHBondContact O-N 3.14Å; T123-I126 PolarHBondContact O-N 3.17Å; K124-I126 PolarHBondContact O-N 3.36Å; I126-L130 HydrophobicContact CG2-CD1 4.03Å; I126-L130 WeakPolarHBondContact O-CB 3.28Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.14Å; I126-I146 HydrophobicContact CG2-CD1 4.37Å; I126-I146 HydrophobicContact CG2-CG2 4.18Å; I126-T150 HydrophobicContact CD1-CG2 4.23Å
127	I	93.1	Very high	88.1	Confident	33 Å²	33	48 Å²	48	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-45.5	-178.8	-64.3	163.9	0	0	0	111	T123 K124 G125 L130 D131 L138 V143 I146 Q147	T123-I127 HydrophobicContact CG2-CD1 4.08Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.18Å; K124-I127 PolarHBondContact O-N 3.26Å; G125-I127 VanDerWaalsContact C-N 3.31Å; G125-I127 PolarHBondContact O-N 2.96Å; I127-L130 PolarHBondContact O-N 2.95Å; I127-D131 WeakPolarHBondContact O-CB 3.46Å; I127-D131 PolarHBondContact O-N 3.35Å; I127-L138 HydrophobicContact CG2-CD1 4.39Å; I127-V143 HydrophobicContact CD1-CG1 4.13Å; I127-I146 HydrophobicContact CD1-CG2 4.36Å; I127-I146 HydrophobicContact CG1-CG2 4Å; I127-Q147 HydrophobicContact CD1-CG 3.92Å
128	E	93.5	Very high	88.5	Confident	80 Å²	80	47.8 Å²	47.8	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-64.3	-43.8	-179.1	-177.6	172.7	-168	0	0	112.2	K124 G125 D131 R132	K124-E128 WeakPolarHBondContact O-CB 3.34Å; K124-E128 PolarHBondContact O-N 3.38Å; G125-E128 PolarHBondContact O-N 3.11Å; E128-D131 PolarHBondContact O-N 3.34Å; E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 VanDerWaalsContact O-CG 3.27Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 2.58Å; E128-R132 IonicContact OE1-CZ 2.66Å; E128-R132 VanDerWaalsContact OE1-CZ 3.31Å; E128-R132 IonicContact OE1-NE 3.23Å; E128-R132 PolarHBondContact OE1-NE 2.87Å; E128-R132 IonicContact OE1-NH2 3.98Å; E128-R132 PolarHBondContact OE1-NH2 3.09Å
129	Y	92.4	Very high	89.3	Confident	66 Å²	66	47.4 Å²	47.4	26%	0.259	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-40.9	176.9	-86.1	-85.9	0	0	0	112.2	F89 G125 D131 R132 L133 Y237	F89-Y129 HydrophobicContact CE2-CG 4.28Å; G125-Y129 WeakPolarHBondContact O-CB 3.32Å; G125-Y129 VanDerWaalsContact O-CD2 3.24Å; G125-Y129 WeakPolarHBondContact O-CD2 3.05Å; G125-Y129 PolarHBondContact O-N 3.47Å; Y129-D131 VanDerWaalsContact C-N 3.32Å; Y129-D131 PolarHBondContact O-N 3.48Å; Y129-R132 PolarHBondContact O-N 2.86Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 WeakPolarHBondContact O-CG 3.23Å; Y129-L133 PolarHBondContact O-N 3.3Å; Y129-Y237 HydrophobicContact CE2-CE1 4.3Å; Y129-Y237 WeakPolarHBondContact OH-CD1 3.26Å
130	L	92.6	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-43.6	172.9	-81.5	172.9	0	0	0	111.3	L66 V68 I74 F89 I93 I126 I127 R132 L133 S134 L138 I146	L66-L130 HydrophobicContact CD1-CD2 4.38Å; V68-L130 HydrophobicContact CG2-CD2 4.5Å; I74-L130 HydrophobicContact CD1-CD2 4.18Å; F89-L130 HydrophobicContact CE1-CD2 3.84Å; F89-L130 HydrophobicContact CE1-CG 3.82Å; F89-L130 HydrophobicContact CZ-CG 4.13Å; I93-L130 HydrophobicContact CD1-CD1 4.12Å; I93-L130 HydrophobicContact CD1-CD2 3.84Å; I93-L130 HydrophobicContact CD1-CG 4.04Å; I126-L130 HydrophobicContact CG2-CD1 4.03Å; I126-L130 WeakPolarHBondContact O-CB 3.28Å; I126-L130 WeakPolarHBondContact O-CG 3.31Å; I126-L130 PolarHBondContact O-N 3.14Å; I127-L130 PolarHBondContact O-N 2.95Å; L130-R132 PolarHBondContact O-N 2.81Å; L130-L133 PolarHBondContact O-N 2.71Å; L130-S134 WeakPolarHBondContact O-CB 3.41Å; L130-S134 PolarHBondContact O-N 3.5Å; L130-L138 HydrophobicContact CB-CD1 3.98Å; L130-L138 HydrophobicContact CB-CD2 4.19Å; L130-I146 HydrophobicContact CD1-CD1 3.54Å
131	D	92.5	Very high	90.4	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-42.6	-179.5	-171	66.7	0	0	0	111.4	K58 R64 I127 E128 Y129 L133 S134 L138	K58-D131 PolarHBondContact NZ-O 3.34Å; K58-D131 IonicContact NZ-OD1 3.01Å; K58-D131 PolarHBondContact NZ-OD1 2.94Å; K58-D131 IonicContact NZ-OD2 3.89Å; K58-D131 PolarHBondContact NZ-OD2 3.34Å; R64-D131 PolarHBondContact NH1-O 3.38Å; I127-D131 WeakPolarHBondContact O-CB 3.46Å; I127-D131 PolarHBondContact O-N 3.35Å; E128-D131 PolarHBondContact O-N 3.34Å; Y129-D131 VanDerWaalsContact C-N 3.32Å; Y129-D131 PolarHBondContact O-N 3.48Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.17Å; D131-S134 PolarHBondContact O-N 3.29Å; D131-L138 HydrophobicContact CB-CD1 3.8Å; D131-L138 HydrophobicContact CB-CG 4.31Å
132	R	91.1	Very high	90.7	Very high	103 Å²	103	50.8 Å²	50.8	39%	0.389	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-33	176.3	-74.5	177.6	-177.8	-171	4.6	113.7	R64 E128 Y129 L130 Y237	R64-R132 VanDerWaalsContact NH1-CA 3.25Å; R64-R132 PolarHBondContact NH1-O 2.99Å; E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 VanDerWaalsContact O-CG 3.27Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 2.58Å; E128-R132 IonicContact OE1-CZ 2.66Å; E128-R132 VanDerWaalsContact OE1-CZ 3.31Å; E128-R132 IonicContact OE1-NE 3.23Å; E128-R132 PolarHBondContact OE1-NE 2.87Å; E128-R132 IonicContact OE1-NH2 3.98Å; E128-R132 PolarHBondContact OE1-NH2 3.09Å; Y129-R132 PolarHBondContact O-N 2.86Å; L130-R132 PolarHBondContact O-N 2.81Å; R132-Y237 PolarHBondContact NH2-OH 3.31Å
133	L	92.8	Very high	90.8	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-94.2	-16.2	-178.8	-66.7	174.6	0	0	0	113.6	R64 P65 L66 I82 A86 F89 Y129 L130 D131	R64-L133 WeakPolarHBondContact CB-O 3.42Å; P65-L133 WeakPolarHBondContact CD-O 3.33Å; P65-L133 HydrophobicContact CG-CD2 4.25Å; L66-L133 WeakPolarHBondContact CB-O 3.3Å; L66-L133 HydrophobicContact CD1-CB 3.47Å; L66-L133 VanDerWaalsContact CD1-CB 3.47Å; L66-L133 HydrophobicContact CD1-CD1 4.19Å; L66-L133 HydrophobicContact CD1-CG 4.5Å; L66-L133 HydrophobicContact CG-CB 3.87Å; L66-L133 PolarHBondContact N-O 3.14Å; I82-L133 HydrophobicContact CG2-CD2 4.04Å; A86-L133 HydrophobicContact CB-CD1 4.04Å; A86-L133 HydrophobicContact CB-CD2 4.42Å; F89-L133 HydrophobicContact CD1-CD1 4.11Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 WeakPolarHBondContact O-CG 3.23Å; Y129-L133 PolarHBondContact O-N 3.3Å; L130-L133 PolarHBondContact O-N 2.71Å; D131-L133 VanDerWaalsContact C-N 3.34Å; D131-L133 PolarHBondContact O-N 3.17Å
134	S	93.5	Very high	90.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-79.8	130.5	-178.5	-175.8	0	0	0	0	112.9	R64 L130 D131 S136	R64-S134 WeakPolarHBondContact CD-O 3.43Å; L130-S134 WeakPolarHBondContact O-CB 3.41Å; L130-S134 PolarHBondContact O-N 3.5Å; D131-S134 PolarHBondContact O-N 3.29Å; S134-S136 VanDerWaalsContact C-N 3.31Å; S134-S136 WeakPolarHBondContact CB-O 3.38Å; S134-S136 PolarHBondContact OG-N 3.49Å; S134-S136 PolarHBondContact OG-O 2.89Å
135	K	93.7	Very high	90.6	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	-67	-30.9	172.6	-70.3	-173.3	174	-172.2	0	113.2	L57 K58 H61 R64 L66 W67 E77	L57-K135 HydrophobicContact CD1-CB 4.41Å; K58-K135 WeakPolarHBondContact CB-O 3.39Å; K58-K135 PolarHBondContact N-O 3.4Å; H61-K135 HydrophobicContact CB-CB 4.15Å; H61-K135 HydrophobicContact CB-CG 4.37Å; H61-K135 WeakPolarHBondContact O-CD 3.23Å; H61-K135 WeakPolarHBondContact O-CE 3.1Å; H61-K135 WeakPolarHBondContact O-CG 3.47Å; R64-K135 HydrophobicContact CB-CG 3.89Å; R64-K135 WeakPolarHBondContact O-CE 2.83Å; R64-K135 WeakPolarHBondContact O-CG 3.06Å; L66-K135 WeakPolarHBondContact O-CB 3.47Å; L66-K135 WeakPolarHBondContact O-CG 3.27Å; L66-K135 PolarHBondContact O-N 3.33Å; W67-K135 HydrophobicContact CD2-CD 4.11Å; W67-K135 HydrophobicContact CH2-CD 4.33Å; W67-K135 HydrophobicContact CZ2-CD 3.64Å; E77-K135 IonicContact OE1-NZ 3.6Å; E77-K135 PolarHBondContact OE1-NZ 2.56Å; E77-K135 VanDerWaalsContact OE2-CE 3.23Å; E77-K135 WeakPolarHBondContact OE2-CE 3.15Å; E77-K135 IonicContact OE2-NZ 3.74Å; E77-K135 PolarHBondContact OE2-NZ 3.42Å
136	S	91.8	Very high	90.5	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-106.3	162	177	55.9	0	0	0	0	110.4	P56 K58 S134	P56-S136 CarbonylContact O-C 3.54Å; P56-S136 VanDerWaalsContact O-CA 3.25Å; P56-S136 WeakPolarHBondContact O-CA 3.43Å; P56-S136 WeakPolarHBondContact O-CB 3.48Å; K58-S136 WeakPolarHBondContact CE-O 3.46Å; S134-S136 VanDerWaalsContact C-N 3.31Å; S134-S136 WeakPolarHBondContact CB-O 3.38Å; S134-S136 PolarHBondContact OG-N 3.49Å; S134-S136 PolarHBondContact OG-O 2.89Å
137	D	90.1	Very high	90.4	Very high	74 Å²	74	47.7 Å²	47.7	40%	0.396	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-60.1	146.2	165.2	-66.9	-23.4	0	0	0	110.1	P56 K58 P139	P56-D137 HydrophobicContact CG-CB 3.85Å; P56-D137 WeakPolarHBondContact CG-OD2 3.37Å; P56-D137 PolarHBondContact O-N 3.14Å; K58-D137 WeakPolarHBondContact CE-OD1 3.32Å; K58-D137 WeakPolarHBondContact CG-OD1 3.45Å; D137-P139 WeakPolarHBondContact O-CD 3.37Å
138	L	90.4	Very high	90	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-71.8	127.7	179.2	-67.4	179.3	0	0	0	109.9	V68 I127 L130 D131 R140 V143	V68-L138 HydrophobicContact CB-CD2 4.05Å; V68-L138 HydrophobicContact CG1-CD2 4.19Å; V68-L138 HydrophobicContact CG2-CD2 3.92Å; I127-L138 HydrophobicContact CG2-CD1 4.39Å; L130-L138 HydrophobicContact CB-CD1 3.98Å; L130-L138 HydrophobicContact CB-CD2 4.19Å; D131-L138 HydrophobicContact CB-CD1 3.8Å; D131-L138 HydrophobicContact CB-CG 4.31Å; L138-R140 PolarHBondContact O-N 2.94Å; L138-V143 HydrophobicContact CB-CG2 4.16Å
139	P	88.8	Confident	89.4	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.058	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-59.1	138.1	174.1	-24.3	34	0	0	0	111.3	M55 P70 D137 G141 I142 V143	M55-P139 HydrophobicContact CG-CG 4.24Å; P70-P139 HydrophobicContact CB-CB 4.11Å; P70-P139 HydrophobicContact CB-CG 4.22Å; D137-P139 WeakPolarHBondContact O-CD 3.37Å; P139-G141 PolarHBondContact O-N 3.23Å; P139-I142 HydrophobicContact CB-CG1 4.24Å; P139-I142 HydrophobicContact CG-CG1 4.41Å; P139-I142 WeakPolarHBondContact O-CB 3.27Å; P139-I142 PolarHBondContact O-N 3.23Å; P139-V143 PolarHBondContact O-N 3.01Å
140	R	86.4	Confident	88.9	Confident	211 Å²	211	42.7 Å²	42.7	80%	0.796	21%	0.205	S	C	*	.	H	α-helix	trans	-56.7	-38.9	-178.2	-65.7	-178	-177.3	175.5	2.2	112.6	L138 I142 V143 E144	L138-R140 PolarHBondContact O-N 2.94Å; R140-I142 VanDerWaalsContact C-N 3.27Å; R140-I142 PolarHBondContact O-N 3.05Å; R140-V143 PolarHBondContact O-N 3.23Å; R140-V143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.48Å; R140-E144 PolarHBondContact O-N 3.19Å
141	G	86.1	Confident	88.2	Confident	30 Å²	30	47.7 Å²	47.7	31%	0.309	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-35.2	177.7	0	0	0	0	0	113.5	L37 P139 F145	L37-G141 VanDerWaalsContact CD2-O 3.28Å; L37-G141 WeakPolarHBondContact CD2-O 3.45Å; P139-G141 PolarHBondContact O-N 3.23Å; G141-F145 WeakPolarHBondContact O-CB 3.12Å; G141-F145 PolarHBondContact O-N 3.01Å
142	I	88.7	Confident	87.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-41.8	176.9	-65.1	-71.4	0	0	0	110.7	L37 V68 L108 P139 R140 F145 I146	L37-I142 HydrophobicContact CD1-CD1 3.56Å; L37-I142 HydrophobicContact CD2-CD1 4.44Å; V68-I142 HydrophobicContact CG1-CG1 4.27Å; V68-I142 HydrophobicContact CG1-CG2 4.26Å; L108-I142 HydrophobicContact CD1-CD1 4.47Å; L108-I142 HydrophobicContact CD1-CG2 4.08Å; P139-I142 HydrophobicContact CB-CG1 4.24Å; P139-I142 HydrophobicContact CG-CG1 4.41Å; P139-I142 WeakPolarHBondContact O-CB 3.27Å; P139-I142 PolarHBondContact O-N 3.23Å; R140-I142 VanDerWaalsContact C-N 3.27Å; R140-I142 PolarHBondContact O-N 3.05Å; I142-F145 PolarHBondContact O-N 3.02Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 VanDerWaalsContact O-CG1 3.27Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.24Å
143	V	90.2	Very high	86.4	Confident	34 Å²	34	41.2 Å²	41.2	21%	0.206	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-46.8	178.5	179.6	0	0	0	0	110.6	I127 L138 P139 R140 F145 I146 Q147	I127-V143 HydrophobicContact CD1-CG1 4.13Å; L138-V143 HydrophobicContact CB-CG2 4.16Å; P139-V143 PolarHBondContact O-N 3.01Å; R140-V143 PolarHBondContact O-N 3.23Å; R140-V143 VanDerWaalsContact O-N 3.14Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.09Å; V143-I146 PolarHBondContact O-N 2.88Å; V143-Q147 VanDerWaalsContact O-CG 3.31Å; V143-Q147 WeakPolarHBondContact O-CG 3.43Å; V143-Q147 PolarHBondContact O-N 2.66Å
144	E	87.6	Confident	85.3	Confident	127 Å²	127	41.7 Å²	41.7	59%	0.593	21%	0.214	S	C	*	.	H	α-helix	trans	-60.8	-43.1	176	-71.2	175.6	-170.4	0	0	111.5	R140 Q147 L148	R140-E144 WeakPolarHBondContact O-CG 3.48Å; R140-E144 PolarHBondContact O-N 3.19Å; E144-Q147 PolarHBondContact O-N 3.43Å; E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 PolarHBondContact O-N 3.16Å
145	F	86.5	Confident	84.5	Confident	23 Å²	23	44.4 Å²	44.4	10%	0.101	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.8	178.3	-102.5	0	0	0	112.6	V32 L37 A110 L113 G141 I142 V143 L148 C149	V32-F145 HydrophobicContact CG1-CD2 4.04Å; V32-F145 HydrophobicContact CG1-CE2 3.66Å; L37-F145 HydrophobicContact CD1-CG 4.45Å; L37-F145 HydrophobicContact CD2-CB 4.03Å; L37-F145 HydrophobicContact CD2-CG 4.48Å; A110-F145 HydrophobicContact CB-CZ 4.35Å; L113-F145 HydrophobicContact CD1-CD1 3.88Å; L113-F145 HydrophobicContact CD1-CE1 3.59Å; G141-F145 WeakPolarHBondContact O-CB 3.12Å; G141-F145 PolarHBondContact O-N 3.01Å; I142-F145 PolarHBondContact O-N 3.02Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.09Å; F145-L148 PolarHBondContact O-N 3.42Å; F145-C149 PolarHBondContact O-N 3.13Å; F145-C149 VanDerWaalsContact O-N 3.08Å; F145-C149 PolarHBondContact O-SG 3.03Å
146	I	88.2	Confident	84	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-49.7	176.4	-68.3	166.5	0	0	0	109.8	L113 T123 I126 I127 L130 I142 V143 L148 C149 T150	L113-I146 HydrophobicContact CD1-CG1 4.04Å; L113-I146 HydrophobicContact CD2-CG1 4.29Å; T123-I146 HydrophobicContact CG2-CG2 4.45Å; I126-I146 HydrophobicContact CG2-CD1 4.37Å; I126-I146 HydrophobicContact CG2-CG2 4.18Å; I127-I146 HydrophobicContact CD1-CG2 4.36Å; I127-I146 HydrophobicContact CG1-CG2 4Å; L130-I146 HydrophobicContact CD1-CD1 3.54Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.4Å; I142-I146 VanDerWaalsContact O-CG1 3.27Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.24Å; V143-I146 PolarHBondContact O-N 2.88Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.14Å; I146-C149 PolarHBondContact O-N 3.37Å; I146-T150 HydrophobicContact CG2-CG2 4.11Å; I146-T150 WeakPolarHBondContact O-CG2 3.43Å; I146-T150 PolarHBondContact O-N 3.29Å; I146-T150 PolarHBondContact O-OG1 3.25Å
147	Q	88.8	Confident	83.5	Confident	84 Å²	84	46.4 Å²	46.4	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-42.5	-179.7	-71.9	175.9	-1.7	0	0	112.6	T123 I127 V143 E144 L151	T123-Q147 HydrophobicContact CG2-CG 4.12Å; I127-Q147 HydrophobicContact CD1-CG 3.92Å; V143-Q147 VanDerWaalsContact O-CG 3.31Å; V143-Q147 WeakPolarHBondContact O-CG 3.43Å; V143-Q147 PolarHBondContact O-N 2.66Å; E144-Q147 PolarHBondContact O-N 3.43Å; Q147-L151 VanDerWaalsContact O-CB 3.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.38Å; Q147-L151 WeakPolarHBondContact O-CD1 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.04Å; Q147-L151 VanDerWaalsContact O-N 3.12Å
148	L	84.4	Confident	83.2	Confident	69 Å²	69	43.5 Å²	43.5	36%	0.361	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-44.6	-180	-163	162.5	0	0	0	111.3	V32 E144 F145 I146 S152	V32-L148 HydrophobicContact CB-CD2 4.26Å; V32-L148 HydrophobicContact CG1-CD2 3.92Å; V32-L148 HydrophobicContact CG2-CD1 4.26Å; V32-L148 HydrophobicContact CG2-CD2 3.33Å; V32-L148 HydrophobicContact CG2-CG 4.46Å; E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 PolarHBondContact O-N 3.16Å; F145-L148 PolarHBondContact O-N 3.42Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.14Å; L148-S152 PolarHBondContact O-OG 3.49Å; L148-S152 VanDerWaalsContact O-OG 3.06Å
149	C	81.9	Confident	82.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-41	180	-64.5	0	0	0	0	112.4	L113 Y114 F145 I146 S152 Y153	L113-C149 HydrophobicContact CB-CB 4.21Å; L113-C149 HydrophobicContact CD1-CB 3.99Å; Y114-C149 HydrophobicContact CE1-CB 4.02Å; Y114-C149 VanDerWaalsContact CE1-O 3.22Å; Y114-C149 WeakPolarHBondContact CE1-O 3.22Å; F145-C149 PolarHBondContact O-N 3.13Å; F145-C149 VanDerWaalsContact O-N 3.08Å; F145-C149 PolarHBondContact O-SG 3.03Å; I146-C149 PolarHBondContact O-N 3.37Å; C149-S152 PolarHBondContact O-OG 3.39Å; C149-Y153 WeakPolarHBondContact O-CB 3.45Å
150	T	80.5	Confident	82.3	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-83.4	-28.3	-172.1	59.4	0	0	0	0	113.7	V117 T123 I126 I146 S152	V117-T150 HydrophobicContact CG2-CG2 3.46Å; V117-T150 VanDerWaalsContact CG2-CG2 3.46Å; T123-T150 WeakPolarHBondContact CB-OG1 3.24Å; T123-T150 WeakPolarHBondContact CG2-OG1 3.46Å; T123-T150 WeakPolarHBondContact OG1-CB 3.37Å; T123-T150 PolarHBondContact OG1-OG1 3.33Å; I126-T150 HydrophobicContact CD1-CG2 4.23Å; I146-T150 HydrophobicContact CG2-CG2 4.11Å; I146-T150 WeakPolarHBondContact O-CG2 3.43Å; I146-T150 PolarHBondContact O-N 3.29Å; I146-T150 PolarHBondContact O-OG1 3.25Å; T150-S152 VanDerWaalsContact C-N 3.34Å
151	L	79.2	Confident	81.6	Confident	104 Å²	104	37.9 Å²	37.9	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-72.8	-25.8	-179.6	-74.5	172.7	0	0	0	114.1	Q147 K155	Q147-L151 VanDerWaalsContact O-CB 3.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.38Å; Q147-L151 WeakPolarHBondContact O-CD1 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.37Å; Q147-L151 PolarHBondContact O-N 3.04Å; Q147-L151 VanDerWaalsContact O-N 3.12Å; L151-K155 WeakPolarHBondContact O-CE 3.35Å; L151-K155 PolarHBondContact O-NZ 3.2Å
152	S	73.9	Confident	80.8	Confident	11 Å²	11	41.9 Å²	41.9	8%	0.077	21%	0.211	C	C	.	.	H	α-helix	trans	-86.8	-28.3	-179.5	55.8	0	0	0	0	111.6	L148 C149 T150 E277 Y278	L148-S152 PolarHBondContact O-OG 3.49Å; L148-S152 VanDerWaalsContact O-OG 3.06Å; C149-S152 PolarHBondContact O-OG 3.39Å; T150-S152 VanDerWaalsContact C-N 3.34Å; S152-E277 WeakPolarHBondContact CB-O 3.22Å; S152-E277 PolarHBondContact OG-O 2.76Å; S152-Y278 WeakPolarHBondContact O-CD1 3.49Å
153	Y	71.4	Confident	79.9	Confident	18 Å²	18	44.3 Å²	44.3	7%	0.071	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	157.6	-175.2	-161.8	-97.2	0	0	0	114.3	Y114 V117 S118 C149 K155 P279 L281	Y114-Y153 AromaticContact CD1-CD2 3.16Å; Y114-Y153 HydrophobicContact CD1-CD2 3.16Å; Y114-Y153 AromaticContact CD1-CE2 3.85Å; Y114-Y153 HydrophobicContact CD1-CE2 3.85Å; Y114-Y153 AromaticContact CD1-CG 3.59Å; Y114-Y153 HydrophobicContact CD1-CG 3.59Å; Y114-Y153 HydrophobicContact CD2-CD2 4.24Å; Y114-Y153 HydrophobicContact CD2-CE2 4.23Å; Y114-Y153 AromaticContact CE1-CD2 3.91Å; Y114-Y153 HydrophobicContact CE1-CD2 3.91Å; Y114-Y153 HydrophobicContact CE1-CG 4.4Å; Y114-Y153 AromaticContact CG-CD2 3.37Å; Y114-Y153 HydrophobicContact CG-CD2 3.37Å; Y114-Y153 AromaticContact CG-CE2 3.52Å; Y114-Y153 HydrophobicContact CG-CE2 3.52Å; Y114-Y153 HydrophobicContact CG-CG 4.1Å; Y114-Y153 WeakPolarHBondContact O-CD1 3.43Å; Y114-Y153 WeakPolarHBondContact O-CE1 3.27Å; Y114-Y153 VanDerWaalsContact O-CZ 3.24Å; Y114-Y153 PolarHBondContact O-OH 2.93Å; V117-Y153 HydrophobicContact CB-CD1 3.74Å; V117-Y153 HydrophobicContact CB-CE1 4.38Å; V117-Y153 HydrophobicContact CG1-CD1 3.81Å; S118-Y153 WeakPolarHBondContact OG-CE1 3.44Å; S118-Y153 PolarHBondContact OG-OH 3.26Å; C149-Y153 WeakPolarHBondContact O-CB 3.45Å; Y153-K155 PolarHBondContact O-N 2.95Å; Y153-P279 HydrophobicContact CD2-CB 4.48Å; Y153-P279 HydrophobicContact CD2-CG 3.24Å; Y153-P279 HydrophobicContact CE2-CB 4.22Å; Y153-P279 HydrophobicContact CE2-CG 3.39Å; Y153-P279 HydrophobicContact CG-CG 4.49Å; Y153-L281 HydrophobicContact CE1-CD1 4.13Å; Y153-L281 HydrophobicContact CE1-CD2 3.84Å; Y153-L281 HydrophobicContact CE1-CG 4.36Å; Y153-L281 HydrophobicContact CE2-CD2 4.22Å; Y153-L281 VanDerWaalsContact CZ-CD2 3.44Å; Y153-L281 WeakPolarHBondContact OH-CD2 3.12Å
154	G	69.5	Low	79.2	Confident	31 Å²	31	48.5 Å²	48.5	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-12	175.7	0	0	0	0	0	115.2
155	K	76.9	Confident	78.9	Confident	56 Å²	56	43.3 Å²	43.3	24%	0.243	21%	0.211	C	C	.	.	S	Bend	trans	-80	-23.9	-173.8	-62.7	-170.1	174.4	165.2	0	113.8	L151 Y153 S169 V174 Y278	L151-K155 WeakPolarHBondContact O-CE 3.35Å; L151-K155 PolarHBondContact O-NZ 3.2Å; Y153-K155 PolarHBondContact O-N 2.95Å; K155-S169 WeakPolarHBondContact O-CB 2.94Å; K155-S169 PolarHBondContact O-OG 3.12Å; K155-V174 HydrophobicContact CB-CG2 4.19Å; K155-V174 HydrophobicContact CD-CG2 3.7Å; K155-Y278 HydrophobicContact CD-CE1 4.2Å
156	V	83.1	Confident	78.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	21%	0.214	C	C	.	.			trans	-126.5	125.7	-172.2	-167.1	0	0	0	0	110.3	V167 V174 L178 Y278 L280 L281	V156-V167 HydrophobicContact CG1-CG1 3.29Å; V156-V174 HydrophobicContact CG2-CG1 3.4Å; V156-V174 VanDerWaalsContact CG2-CG1 3.4Å; V156-L178 HydrophobicContact CG1-CD1 3.94Å; V156-L178 HydrophobicContact CG2-CD1 3.94Å; V156-Y278 HydrophobicContact CG2-CD1 4.34Å; V156-Y278 HydrophobicContact CG2-CG 4.48Å; V156-L280 HydrophobicContact CB-CD2 4.19Å; V156-L280 HydrophobicContact CG1-CD2 3.39Å; V156-L281 PolarHBondContact O-N 2.81Å; V156-L281 VanDerWaalsContact O-N 3.14Å
157	K	81.7	Confident	78.7	Confident	61 Å²	61	44 Å²	44	27%	0.265	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.4	-178.5	-62.6	-177	-179.4	-171	0	109.7	V159 V167 E168 L281 E283	K157-V159 HydrophobicContact CB-CG2 4.42Å; K157-V167 CarbonylContact O-C 3.54Å; K157-V167 WeakPolarHBondContact O-CA 3.32Å; K157-E168 PolarHBondContact N-O 3.03Å; K157-E168 PolarHBondContact O-N 2.82Å; K157-L281 WeakPolarHBondContact CA-O 3.45Å; K157-L281 HydrophobicContact CG-CB 4.43Å; K157-E283 IonicContact NZ-OE2 3.94Å; K157-E283 PolarHBondContact NZ-OE2 2.91Å
158	L	83.7	Confident	78.5	Confident	12 Å²	12	41.4 Å²	41.4	6%	0.063	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.2	171.1	178	70.9	0	0	0	108.2	Y165 V167 I266 L280 L281	L158-Y165 HydrophobicContact CD1-CD1 4.01Å; L158-Y165 HydrophobicContact CD2-CD1 4.28Å; L158-Y165 HydrophobicContact CG-CD1 4.15Å; L158-V167 HydrophobicContact CD1-CG2 4.08Å; L158-I266 HydrophobicContact CD1-CD1 3.74Å; L158-I266 HydrophobicContact CD2-CD1 3.78Å; L158-I266 HydrophobicContact CD2-CG1 4.2Å; L158-I266 HydrophobicContact CG-CD1 4.42Å; L158-L280 HydrophobicContact CB-CB 4.09Å; L158-L280 HydrophobicContact CB-CD1 4.45Å; L158-L280 HydrophobicContact CD1-CD1 4.45Å; L158-L281 PolarHBondContact N-O 3.11Å
159	V	81	Confident	78.5	Confident	29 Å²	29	38.3 Å²	38.3	18%	0.176	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.9	-176.6	-172.1	0	0	0	0	109.2	K157 K161 F166 E168	K157-V159 HydrophobicContact CB-CG2 4.42Å; V159-K161 HydrophobicContact CG1-CD 4.4Å; V159-K161 HydrophobicContact CG1-CG 3.96Å; V159-F166 PolarHBondContact N-O 2.87Å; V159-F166 PolarHBondContact O-N 3.06Å; V159-E168 HydrophobicContact CB-CG 4.3Å; V159-E168 HydrophobicContact CG2-CB 4.42Å; V159-E168 HydrophobicContact CG2-CG 3.84Å; V159-E168 WeakPolarHBondContact CG2-OE2 3.25Å
160	L	78	Confident	78.5	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.8	173.4	178.6	68.4	0	0	0	107.9	R164 Y165 H456	L160-R164 WeakPolarHBondContact CA-O 3.39Å; L160-Y165 HydrophobicContact CB-CD1 4.23Å; L160-Y165 HydrophobicContact CB-CE1 4.06Å; L160-Y165 HydrophobicContact CD1-CD1 3.94Å; L160-Y165 HydrophobicContact CD1-CD2 4.23Å; L160-Y165 HydrophobicContact CD1-CE1 3.78Å; L160-Y165 HydrophobicContact CD1-CE2 4.09Å; L160-Y165 HydrophobicContact CD1-CG 4.17Å; L160-Y165 HydrophobicContact CD2-CE1 4.47Å; L160-Y165 HydrophobicContact CG-CE1 4.33Å; L160-H456 PolarHBondContact O-CE1 3.13Å; L160-H456 PolarHBondContact O-ND1 3.25Å
161	K	71.8	Confident	78.6	Confident	88 Å²	88	45.3 Å²	45.3	38%	0.383	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.5	173.5	-55.3	180	-172.6	167.3	0	108.5	V159 N163 R164 F166 E168	V159-K161 HydrophobicContact CG1-CD 4.4Å; V159-K161 HydrophobicContact CG1-CG 3.96Å; K161-N163 VanDerWaalsContact C-N 3.31Å; K161-N163 PolarHBondContact O-N 3.41Å; K161-R164 PolarHBondContact N-O 3.48Å; K161-R164 WeakPolarHBondContact O-CB 3.37Å; K161-R164 PolarHBondContact O-N 2.62Å; K161-F166 HydrophobicContact CB-CD2 4.04Å; K161-F166 HydrophobicContact CB-CE2 3.89Å; K161-F166 HydrophobicContact CD-CD2 4.46Å; K161-F166 HydrophobicContact CG-CD2 4.26Å; K161-E168 WeakPolarHBondContact CE-OE1 3.43Å; K161-E168 IonicContact NZ-OE1 2.95Å; K161-E168 PolarHBondContact NZ-OE1 3.38Å
162	E	70.4	Confident	78.7	Confident	113 Å²	113	42.9 Å²	42.9	53%	0.528	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	46	178	-57.8	178.9	-177.2	0	0	113.9	R164 Q291 E429	E162-R164 PolarHBondContact O-N 3.48Å; E162-R164 VanDerWaalsContact O-N 3.14Å; E162-Q291 PolarHBondContact OE1-NE2 3.32Å; E162-E429 VanDerWaalsContact CA-OE1 3.23Å; E162-E429 WeakPolarHBondContact CA-OE1 3.32Å
163	N	69.5	Low	79.2	Confident	51 Å²	51	46.6 Å²	46.6	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	19.4	-178.1	-92.7	-31.3	0	0	0	113.9	K161 Q427 E429	K161-N163 VanDerWaalsContact C-N 3.31Å; K161-N163 PolarHBondContact O-N 3.41Å; N163-Q427 PolarHBondContact ND2-O 3.01Å; N163-E429 HydrophobicContact CB-CG 4.48Å; N163-E429 PolarHBondContact N-OE1 2.95Å; N163-E429 WeakPolarHBondContact OD1-CG 3.14Å
164	R	76	Confident	79.8	Confident	123 Å²	123	45.8 Å²	45.8	46%	0.464	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.1	177.1	-60.1	169	-165	-149.1	9.6	110.7	L160 K161 E162 F166 E260	L160-R164 WeakPolarHBondContact CA-O 3.39Å; K161-R164 PolarHBondContact N-O 3.48Å; K161-R164 WeakPolarHBondContact O-CB 3.37Å; K161-R164 PolarHBondContact O-N 2.62Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-R164 VanDerWaalsContact O-N 3.14Å; R164-F166 HydrophobicContact CB-CD2 4.45Å; R164-F166 HydrophobicContact CB-CE2 3.64Å; R164-F166 HydrophobicContact CB-CZ 3.89Å; R164-F166 WeakPolarHBondContact O-CD2 3.47Å; R164-E260 WeakPolarHBondContact CD-OE1 3.39Å; R164-E260 IonicContact NH1-OE1 2.76Å
165	Y	81	Confident	80.5	Confident	17 Å²	17	44.9 Å²	44.9	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128	178.2	-74.8	-74.3	0	0	0	110.7	L158 L160 E260 V261 P263 I266 H454	L158-Y165 HydrophobicContact CD1-CD1 4.01Å; L158-Y165 HydrophobicContact CD2-CD1 4.28Å; L158-Y165 HydrophobicContact CG-CD1 4.15Å; L160-Y165 HydrophobicContact CB-CD1 4.23Å; L160-Y165 HydrophobicContact CB-CE1 4.06Å; L160-Y165 HydrophobicContact CD1-CD1 3.94Å; L160-Y165 HydrophobicContact CD1-CD2 4.23Å; L160-Y165 HydrophobicContact CD1-CE1 3.78Å; L160-Y165 HydrophobicContact CD1-CE2 4.09Å; L160-Y165 HydrophobicContact CD1-CG 4.17Å; L160-Y165 HydrophobicContact CD2-CE1 4.47Å; L160-Y165 HydrophobicContact CG-CE1 4.33Å; Y165-E260 WeakPolarHBondContact O-CA 3.34Å; Y165-V261 PolarHBondContact O-N 3.05Å; Y165-P263 HydrophobicContact CD2-CB 4.17Å; Y165-P263 HydrophobicContact CD2-CG 4.31Å; Y165-P263 HydrophobicContact CE2-CB 4.27Å; Y165-I266 HydrophobicContact CD1-CD1 4.38Å; Y165-I266 HydrophobicContact CG-CD1 4.23Å; Y165-H454 AromaticContact CE2-CD2 3.77Å
166	F	84.4	Confident	80.8	Confident	39 Å²	39	47.9 Å²	47.9	17%	0.171	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.7	177	-64.3	-78.3	0	0	0	109.8	V159 K161 R164 V258 F259 E260	V159-F166 PolarHBondContact N-O 2.87Å; V159-F166 PolarHBondContact O-N 3.06Å; K161-F166 HydrophobicContact CB-CD2 4.04Å; K161-F166 HydrophobicContact CB-CE2 3.89Å; K161-F166 HydrophobicContact CD-CD2 4.46Å; K161-F166 HydrophobicContact CG-CD2 4.26Å; R164-F166 HydrophobicContact CB-CD2 4.45Å; R164-F166 HydrophobicContact CB-CE2 3.64Å; R164-F166 HydrophobicContact CB-CZ 3.89Å; R164-F166 WeakPolarHBondContact O-CD2 3.47Å; F166-V258 HydrophobicContact CB-CG1 3.7Å; F166-V258 HydrophobicContact CD1-CG1 3.76Å; F166-V258 HydrophobicContact CG-CG1 4.05Å; F166-F259 CarbonylContact C-O 3.59Å; F166-F259 WeakPolarHBondContact CA-O 3.36Å; F166-E260 HydrophobicContact CD1-CB 3.99Å; F166-E260 HydrophobicContact CD1-CG 4.29Å; F166-E260 HydrophobicContact CE1-CB 3.76Å; F166-E260 HydrophobicContact CE1-CG 3.85Å; F166-E260 HydrophobicContact CZ-CG 4.32Å
167	V	85.9	Confident	80.9	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121	170	177.2	0	0	0	0	108	V156 K157 L158 V258 F259 V261 L269 L280	V156-V167 HydrophobicContact CG1-CG1 3.29Å; K157-V167 CarbonylContact O-C 3.54Å; K157-V167 WeakPolarHBondContact O-CA 3.32Å; L158-V167 HydrophobicContact CD1-CG2 4.08Å; V167-V258 WeakPolarHBondContact O-CA 3.39Å; V167-F259 HydrophobicContact CB-CD1 4.18Å; V167-F259 HydrophobicContact CB-CD2 4.12Å; V167-F259 HydrophobicContact CB-CE1 3.68Å; V167-F259 HydrophobicContact CB-CE2 3.64Å; V167-F259 HydrophobicContact CB-CG 4.4Å; V167-F259 HydrophobicContact CB-CZ 3.4Å; V167-F259 VanDerWaalsContact CB-CZ 3.4Å; V167-F259 HydrophobicContact CG1-CD1 4.49Å; V167-F259 HydrophobicContact CG1-CE1 3.65Å; V167-F259 HydrophobicContact CG1-CE2 4.29Å; V167-F259 HydrophobicContact CG1-CZ 3.55Å; V167-F259 HydrophobicContact CG2-CD2 4.44Å; V167-F259 HydrophobicContact CG2-CE2 3.71Å; V167-F259 HydrophobicContact CG2-CZ 3.79Å; V167-F259 PolarHBondContact N-O 3.32Å; V167-F259 PolarHBondContact O-N 2.89Å; V167-F259 VanDerWaalsContact O-N 3.14Å; V167-V261 HydrophobicContact CG2-CG2 3.79Å; V167-L269 HydrophobicContact CG2-CD2 4.04Å; V167-L280 HydrophobicContact CG1-CD2 4.02Å; V167-L280 HydrophobicContact CG2-CD2 4.29Å
168	E	84.5	Confident	81	Confident	30 Å²	30	50 Å²	50	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.3	-176.6	-53.5	-168.3	161.7	0	0	110.6	K157 V159 K161 T256 F257 V258	K157-E168 PolarHBondContact N-O 3.03Å; K157-E168 PolarHBondContact O-N 2.82Å; V159-E168 HydrophobicContact CB-CG 4.3Å; V159-E168 HydrophobicContact CG2-CB 4.42Å; V159-E168 HydrophobicContact CG2-CG 3.84Å; V159-E168 WeakPolarHBondContact CG2-OE2 3.25Å; K161-E168 WeakPolarHBondContact CE-OE1 3.43Å; K161-E168 IonicContact NZ-OE1 2.95Å; K161-E168 PolarHBondContact NZ-OE1 3.38Å; E168-T256 HydrophobicContact CB-CG2 4.02Å; E168-F257 WeakPolarHBondContact CA-O 3.37Å; E168-V258 HydrophobicContact CB-CG2 4.33Å; E168-V258 HydrophobicContact CG-CB 4.43Å; E168-V258 HydrophobicContact CG-CG1 4.01Å; E168-V258 HydrophobicContact CG-CG2 3.77Å
169	S	84	Confident	81.1	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	147	170.7	-173	0	0	0	0	110.8	K155 H171 I175 F257	K155-S169 WeakPolarHBondContact O-CB 2.94Å; K155-S169 PolarHBondContact O-OG 3.12Å; S169-H171 VanDerWaalsContact C-N 3.26Å; S169-H171 PolarHBondContact OG-N 2.98Å; S169-H171 PolarHBondContact OG-O 2.67Å; S169-I175 VanDerWaalsContact CB-CD1 3.43Å; S169-F257 PolarHBondContact N-O 2.75Å; S169-F257 PolarHBondContact O-N 2.86Å
170	N	81.2	Confident	81.3	Confident	73 Å²	73	57.5 Å²	57.5	39%	0.39	27%	0.271	S	S	.	.	S	Bend	trans	-85.1	-4.5	168.8	-60.7	-5.9	0	0	0	111.7
171	H	82.7	Confident	81.7	Confident	80 Å²	80	58.2 Å²	58.2	37%	0.37	28%	0.275	S	S	.	.			trans	-113.1	102.3	-172.8	-66.9	-67.6	0	0	0	110.5	S169 D173 V174 I175	S169-H171 VanDerWaalsContact C-N 3.26Å; S169-H171 PolarHBondContact OG-N 2.98Å; S169-H171 PolarHBondContact OG-O 2.67Å; H171-D173 VanDerWaalsContact C-N 3.29Å; H171-D173 WeakPolarHBondContact CB-OD1 3.48Å; H171-D173 PolarHBondContact O-N 3.03Å; H171-V174 HydrophobicContact CB-CB 4.23Å; H171-V174 HydrophobicContact CB-CG2 3.83Å; H171-V174 PolarHBondContact O-N 2.68Å; H171-I175 PolarHBondContact O-N 3.46Å
172	P	81.3	Confident	82.4	Confident	53 Å²	53	61.3 Å²	61.3	34%	0.344	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-30.6	-175.3	24.2	-32.9	0	0	0	113.2	V174 I175 Q176 F257	P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 2.87Å; P172-I175 PolarHBondContact O-N 2.95Å; P172-Q176 VanDerWaalsContact O-CG 3.32Å; P172-Q176 WeakPolarHBondContact O-CG 3.07Å; P172-Q176 PolarHBondContact O-N 3.27Å; P172-F257 HydrophobicContact CB-CD1 4.19Å; P172-F257 HydrophobicContact CB-CD2 4.35Å; P172-F257 HydrophobicContact CB-CE1 3.82Å; P172-F257 HydrophobicContact CB-CE2 3.94Å; P172-F257 HydrophobicContact CB-CZ 3.72Å; P172-F257 HydrophobicContact CG-CE2 4.24Å; P172-F257 HydrophobicContact CG-CZ 4.23Å
173	D	84.4	Confident	83.1	Confident	90 Å²	90	58.6 Å²	58.6	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-40.7	176	59.2	-47	0	0	0	112	H171 K177	H171-D173 VanDerWaalsContact C-N 3.29Å; H171-D173 WeakPolarHBondContact CB-OD1 3.48Å; H171-D173 PolarHBondContact O-N 3.03Å; D173-K177 PolarHBondContact O-N 3.03Å; D173-K177 VanDerWaalsContact O-N 3.1Å
174	V	84.3	Confident	83.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-44.7	179.6	-178.7	0	0	0	0	111	K155 V156 H171 P172 Q176 K177 L178 Y278	K155-V174 HydrophobicContact CB-CG2 4.19Å; K155-V174 HydrophobicContact CD-CG2 3.7Å; V156-V174 HydrophobicContact CG2-CG1 3.4Å; V156-V174 VanDerWaalsContact CG2-CG1 3.4Å; H171-V174 HydrophobicContact CB-CB 4.23Å; H171-V174 HydrophobicContact CB-CG2 3.83Å; H171-V174 PolarHBondContact O-N 2.68Å; P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 2.87Å; V174-Q176 PolarHBondContact O-N 2.63Å; V174-K177 WeakPolarHBondContact O-CB 3.49Å; V174-K177 PolarHBondContact O-N 3.16Å; V174-K177 VanDerWaalsContact O-N 3.16Å; V174-L178 HydrophobicContact CG1-CD1 4.3Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.19Å; V174-Y278 HydrophobicContact CB-CE1 4.28Å; V174-Y278 HydrophobicContact CG1-CD1 3.47Å; V174-Y278 VanDerWaalsContact CG1-CD1 3.47Å; V174-Y278 HydrophobicContact CG1-CD2 4.11Å; V174-Y278 HydrophobicContact CG1-CE1 3.58Å; V174-Y278 HydrophobicContact CG1-CE2 4.21Å; V174-Y278 HydrophobicContact CG1-CG 3.75Å; V174-Y278 HydrophobicContact CG2-CD1 4.35Å; V174-Y278 HydrophobicContact CG2-CE1 3.67Å
175	I	84.2	Confident	84.2	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.4	-79	174.2	0	0	0	111.4	S169 H171 P172 K177 L178 V179 F257 F259	S169-I175 VanDerWaalsContact CB-CD1 3.43Å; H171-I175 PolarHBondContact O-N 3.46Å; P172-I175 PolarHBondContact O-N 2.95Å; I175-K177 PolarHBondContact O-N 3.23Å; I175-L178 PolarHBondContact O-N 3.34Å; I175-V179 HydrophobicContact CG2-CG2 4.08Å; I175-V179 WeakPolarHBondContact O-CG2 3.25Å; I175-V179 PolarHBondContact O-N 3.41Å; I175-F257 HydrophobicContact CD1-CB 3.31Å; I175-F257 HydrophobicContact CD1-CG 4.45Å; I175-F257 VanDerWaalsContact CD1-O 3.28Å; I175-F257 WeakPolarHBondContact CD1-O 3.25Å; I175-F259 HydrophobicContact CG1-CE1 4.34Å; I175-F259 HydrophobicContact CG2-CD1 4.28Å; I175-F259 HydrophobicContact CG2-CE1 4.4Å
176	Q	83.6	Confident	84.4	Confident	119 Å²	119	60.1 Å²	60.1	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-36.3	175.1	-73.7	179.7	15.5	0	0	112.1	P172 V174 K180	P172-Q176 VanDerWaalsContact O-CG 3.32Å; P172-Q176 WeakPolarHBondContact O-CG 3.07Å; P172-Q176 PolarHBondContact O-N 3.27Å; V174-Q176 PolarHBondContact O-N 2.63Å; Q176-K180 WeakPolarHBondContact O-CB 3.24Å; Q176-K180 WeakPolarHBondContact O-CD 3.18Å; Q176-K180 WeakPolarHBondContact O-CG 3.44Å; Q176-K180 PolarHBondContact O-N 3.38Å
177	K	85.2	Confident	84.2	Confident	108 Å²	108	58.5 Å²	58.5	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-39.6	175.6	-171.6	173.3	171.4	-171.2	0	111.9	D173 V174 I175 Y278	D173-K177 PolarHBondContact O-N 3.03Å; D173-K177 VanDerWaalsContact O-N 3.1Å; V174-K177 WeakPolarHBondContact O-CB 3.49Å; V174-K177 PolarHBondContact O-N 3.16Å; V174-K177 VanDerWaalsContact O-N 3.16Å; I175-K177 PolarHBondContact O-N 3.23Å; K177-Y278 HydrophobicContact CD-CE2 3.94Å
178	L	84.4	Confident	84	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-47	176.6	-73.6	174.2	0	0	0	112.4	V156 V174 I175 K180 D181 V184 I276	V156-L178 HydrophobicContact CG1-CD1 3.94Å; V156-L178 HydrophobicContact CG2-CD1 3.94Å; V174-L178 HydrophobicContact CG1-CD1 4.3Å; V174-L178 WeakPolarHBondContact O-CG 3.26Å; V174-L178 PolarHBondContact O-N 3.19Å; I175-L178 PolarHBondContact O-N 3.34Å; L178-K180 PolarHBondContact O-N 3.38Å; L178-D181 WeakPolarHBondContact O-CB 3.49Å; L178-D181 PolarHBondContact O-N 3.27Å; L178-D181 VanDerWaalsContact O-N 3.09Å; L178-V184 VanDerWaalsContact O-CB 3.28Å; L178-V184 WeakPolarHBondContact O-CB 3.38Å; L178-V184 WeakPolarHBondContact O-CG1 3.48Å; L178-I276 HydrophobicContact CD2-CD1 4.37Å
179	V	84.4	Confident	83.4	Confident	35 Å²	35	62.1 Å²	62.1	21%	0.212	31%	0.306	C	S	.	.	H	α-helix	trans	-67.1	-24.8	-178	174.9	0	0	0	0	112.2	I175 D181 L188 A194 F259	I175-V179 HydrophobicContact CG2-CG2 4.08Å; I175-V179 WeakPolarHBondContact O-CG2 3.25Å; I175-V179 PolarHBondContact O-N 3.41Å; V179-D181 VanDerWaalsContact C-N 3.31Å; V179-L188 HydrophobicContact CG1-CD1 4.48Å; V179-A194 HydrophobicContact CG1-CB 4.39Å; V179-F259 HydrophobicContact CG2-CD1 4.4Å; V179-F259 HydrophobicContact CG2-CE1 4.4Å
180	K	85.2	Confident	82.4	Confident	162 Å²	162	68.1 Å²	68.1	70%	0.704	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.3	174.3	-77.1	172.6	-174.8	177.1	0	113.8	Q176 L178	Q176-K180 WeakPolarHBondContact O-CB 3.24Å; Q176-K180 WeakPolarHBondContact O-CD 3.18Å; Q176-K180 WeakPolarHBondContact O-CG 3.44Å; Q176-K180 PolarHBondContact O-N 3.38Å; L178-K180 PolarHBondContact O-N 3.38Å
181	D	86.9	Confident	81.1	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.144	35%	0.352	C	S	.	.	S	Bend	trans	-76.6	130.2	179.3	-169.5	-84.8	0	0	0	110.7	L178 V179 V183 V184 Q185 R272 I276	L178-D181 WeakPolarHBondContact O-CB 3.49Å; L178-D181 PolarHBondContact O-N 3.27Å; L178-D181 VanDerWaalsContact O-N 3.09Å; V179-D181 VanDerWaalsContact C-N 3.31Å; D181-V183 VanDerWaalsContact C-N 3.32Å; D181-V183 PolarHBondContact O-N 3.26Å; D181-V183 PolarHBondContact OD1-N 3.37Å; D181-V183 VanDerWaalsContact OD1-N 3.13Å; D181-V184 HydrophobicContact CB-CB 4.17Å; D181-V184 HydrophobicContact CB-CG2 3.89Å; D181-V184 PolarHBondContact O-N 3.27Å; D181-Q185 WeakPolarHBondContact O-CB 3.45Å; D181-Q185 PolarHBondContact O-N 3.35Å; D181-R272 IonicContact OD1-CZ 2.79Å; D181-R272 IonicContact OD1-NE 3.62Å; D181-R272 PolarHBondContact OD1-NE 3.16Å; D181-R272 IonicContact OD1-NH2 3.77Å; D181-R272 IonicContact OD2-CZ 2.69Å; D181-R272 IonicContact OD2-NE 2.59Å; D181-R272 PolarHBondContact OD2-NE 3.1Å; D181-R272 IonicContact OD2-NH2 2.74Å; D181-R272 PolarHBondContact OD2-NH2 3.48Å; D181-I276 HydrophobicContact CB-CD1 3.8Å; D181-I276 WeakPolarHBondContact OD2-CD1 3.18Å
182	Q	86	Confident	79.3	Confident	152 Å²	152	71.1 Å²	71.1	71%	0.71	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-40.1	-173.9	-68.3	179.8	-6.4	0	0	112.5	Q185 E186	Q182-Q185 PolarHBondContact O-N 3.14Å; Q182-E186 WeakPolarHBondContact O-CG 3.4Å; Q182-E186 PolarHBondContact O-N 3.18Å
183	V	86.6	Confident	77.4	Confident	56 Å²	56	69.8 Å²	69.8	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-71.8	-37.7	-177.6	179.7	0	0	0	0	110.4	D181 E186 C187 R272	D181-V183 VanDerWaalsContact C-N 3.32Å; D181-V183 PolarHBondContact O-N 3.26Å; D181-V183 PolarHBondContact OD1-N 3.37Å; D181-V183 VanDerWaalsContact OD1-N 3.13Å; V183-E186 PolarHBondContact O-N 3.38Å; V183-C187 PolarHBondContact O-N 3.21Å; V183-C187 PolarHBondContact O-SG 2.96Å; V183-R272 HydrophobicContact CB-CG 3.96Å; V183-R272 HydrophobicContact CG1-CB 4.19Å; V183-R272 HydrophobicContact CG1-CG 4.05Å
184	V	84.1	Confident	75.4	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-42.4	174.3	178.7	0	0	0	0	110.3	L178 D181 E186 C187 L188 L269 R272 I276	L178-V184 VanDerWaalsContact O-CB 3.28Å; L178-V184 WeakPolarHBondContact O-CB 3.38Å; L178-V184 WeakPolarHBondContact O-CG1 3.48Å; D181-V184 HydrophobicContact CB-CB 4.17Å; D181-V184 HydrophobicContact CB-CG2 3.89Å; D181-V184 PolarHBondContact O-N 3.27Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 2.82Å; V184-C187 WeakPolarHBondContact O-CA 3.22Å; V184-C187 WeakPolarHBondContact O-CB 3.41Å; V184-C187 PolarHBondContact O-N 3.49Å; V184-L188 PolarHBondContact O-N 3.31Å; V184-L269 HydrophobicContact CB-CD1 4.29Å; V184-L269 HydrophobicContact CG1-CD1 3.88Å; V184-L269 HydrophobicContact CG2-CD1 3.95Å; V184-R272 HydrophobicContact CG2-CG 4.19Å; V184-I276 HydrophobicContact CG2-CD1 4.15Å
185	Q	84	Confident	73.5	Confident	87 Å²	87	73.4 Å²	73.4	41%	0.407	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-37.9	178.5	-166.2	179.4	7.1	0	0	112.2	D181 Q182 C187 L188	D181-Q185 WeakPolarHBondContact O-CB 3.45Å; D181-Q185 PolarHBondContact O-N 3.35Å; Q182-Q185 PolarHBondContact O-N 3.14Å; Q185-C187 VanDerWaalsContact C-N 3.27Å; Q185-C187 PolarHBondContact O-N 3.19Å; Q185-L188 WeakPolarHBondContact O-CB 3.32Å; Q185-L188 PolarHBondContact O-N 3.43Å
186	E	85.1	Confident	71.8	Confident	136 Å²	136	75.4 Å²	75.4	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-34	171.7	-72.8	177.2	-172.8	0	0	111.9	Q182 V183 V184 L188 R262	Q182-E186 WeakPolarHBondContact O-CG 3.4Å; Q182-E186 PolarHBondContact O-N 3.18Å; V183-E186 PolarHBondContact O-N 3.38Å; V184-E186 VanDerWaalsContact C-N 3.29Å; V184-E186 PolarHBondContact O-N 2.82Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 2.76Å; E186-R262 PolarHBondContact O-NH2 2.9Å
187	C	80.9	Confident	70.2	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.027	41%	0.413	C	S	.	.	H	α-helix	trans	-75	-15.4	-179.2	-61.6	0	0	0	0	113.9	V183 V184 Q185 V261 R262 L269	V183-C187 PolarHBondContact O-N 3.21Å; V183-C187 PolarHBondContact O-SG 2.96Å; V184-C187 WeakPolarHBondContact O-CA 3.22Å; V184-C187 WeakPolarHBondContact O-CB 3.41Å; V184-C187 PolarHBondContact O-N 3.49Å; Q185-C187 VanDerWaalsContact C-N 3.27Å; Q185-C187 PolarHBondContact O-N 3.19Å; C187-V261 HydrophobicContact CB-CG1 4.4Å; C187-R262 PolarHBondContact O-N 3.45Å; C187-R262 VanDerWaalsContact O-N 3.09Å; C187-L269 HydrophobicContact CB-CB 4.49Å
188	L	80.3	Confident	68.2	Low	18 Å²	18	78.2 Å²	78.2	9%	0.094	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-69.5	142.6	-179.8	-62.5	176.2	0	0	0	111.5	V179 V184 Q185 E186 F259	V179-L188 HydrophobicContact CG1-CD1 4.48Å; V184-L188 PolarHBondContact O-N 3.31Å; Q185-L188 WeakPolarHBondContact O-CB 3.32Å; Q185-L188 PolarHBondContact O-N 3.43Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 2.76Å; L188-F259 HydrophobicContact CD2-CB 4.43Å; L188-F259 HydrophobicContact CD2-CD2 3.19Å; L188-F259 HydrophobicContact CD2-CE2 3.56Å; L188-F259 HydrophobicContact CD2-CG 4.03Å
189	L	72.8	Confident	66.5	Low	88 Å²	88	81.7 Å²	81.7	46%	0.461	44%	0.439	S	S	.	.	S	Bend	trans	-76.5	-32.4	178.5	-159	136.9	0	0	0	111.9	R262	L189-R262 HydrophobicContact CB-CG 4.09Å; L189-R262 HydrophobicContact CD1-CG 4.04Å; L189-R262 HydrophobicContact CG-CG 4.18Å
190	E	63.7	Low	64.1	Low	130 Å²	130	88.9 Å²	88.9	61%	0.607	47%	0.47	S	S	*	.			trans	-125.4	116.8	177.5	-68.8	-172.8	168.7	0	0	111.9	G192 G193	E190-G192 PolarHBondContact O-N 2.94Å; E190-G192 VanDerWaalsContact O-N 3.09Å; E190-G193 PolarHBondContact O-N 3.39Å; E190-G193 VanDerWaalsContact O-N 3.09Å
191	I	52.7	Low	61.7	Low	147 Å²	147	87 Å²	87	75%	0.754	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.2	-179.1	-60.1	171.4	0	0	0	112.4
192	G	45.7	Very low	59	Low	68 Å²	68	90.3 Å²	90.3	70%	0.701	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	5	172.5	0	0	0	0	0	114.7	E190 A194	E190-G192 PolarHBondContact O-N 2.94Å; E190-G192 VanDerWaalsContact O-N 3.09Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 2.99Å
193	G	40.1	Very low	56.3	Low	25 Å²	25	91.8 Å²	91.8	26%	0.258	51%	0.51	S	S	.	.			trans	-86.2	11.9	-174.9	0	0	0	0	0	114.7	E190 V195	E190-G193 PolarHBondContact O-N 3.39Å; E190-G193 VanDerWaalsContact O-N 3.09Å; G193-V195 PolarHBondContact O-N 3.14Å
194	A	44.1	Very low	53.7	Low	61 Å²	61	94.6 Å²	94.6	50%	0.504	53%	0.53	S	S	.	.			trans	-67	24.9	168.2	0	0	0	0	0	112.7	V179 G192 V196	V179-A194 HydrophobicContact CG1-CB 4.39Å; G192-A194 VanDerWaalsContact C-N 3.3Å; G192-A194 PolarHBondContact O-N 2.99Å; A194-V196 PolarHBondContact O-N 3.31Å
195	V	43.6	Very low	51	Low	106 Å²	106	103.8 Å²	103.8	64%	0.642	57%	0.573	S	S	*	*			trans	-68.2	95.1	158.7	-175	0	0	0	0	105	G193 K197	G193-V195 PolarHBondContact O-N 3.14Å; V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 3.38Å
196	V	49.3	Very low	48.4	Very low	53 Å²	53	108 Å²	108	32%	0.321	59%	0.592	S	S	.	*			trans	-40.9	99.7	157.8	174.1	0	0	0	0	107.2	A194 K198 F257	A194-V196 PolarHBondContact O-N 3.31Å; V196-K198 HydrophobicContact CG1-CG 4.45Å; V196-K198 PolarHBondContact O-N 3.01Å; V196-K198 VanDerWaalsContact O-N 3.11Å; V196-F257 HydrophobicContact CB-CD1 3.82Å; V196-F257 HydrophobicContact CB-CE1 4.2Å; V196-F257 HydrophobicContact CG1-CB 4.07Å; V196-F257 HydrophobicContact CG1-CD1 3Å; V196-F257 HydrophobicContact CG1-CE1 3.37Å; V196-F257 HydrophobicContact CG1-CG 3.67Å; V196-F257 HydrophobicContact CG1-CZ 4.33Å; V196-F257 HydrophobicContact CG2-CD1 3.46Å; V196-F257 VanDerWaalsContact CG2-CD1 3.46Å; V196-F257 HydrophobicContact CG2-CE1 3.96Å
197	K	49	Very low	45.8	Very low	156 Å²	156	107 Å²	107	68%	0.678	60%	0.598	S	S	*	*			trans	-73.2	106.5	166.8	-78.1	-175.6	179.8	174.6	0	105.2	V195 V199	V195-K197 VanDerWaalsContact C-N 3.26Å; V195-K197 PolarHBondContact O-N 3.38Å; K197-V199 PolarHBondContact O-N 3.14Å
198	K	43.4	Very low	43.2	Very low	130 Å²	130	116.8 Å²	116.8	57%	0.565	64%	0.64	S	S	*	*			trans	-63.6	112.6	165.6	-71.6	-169.9	176.8	-162.4	0	106.9	V196 E255	V196-K198 HydrophobicContact CG1-CG 4.45Å; V196-K198 PolarHBondContact O-N 3.01Å; V196-K198 VanDerWaalsContact O-N 3.11Å; K198-E255 WeakPolarHBondContact CE-OE1 3.36Å; K198-E255 WeakPolarHBondContact CE-OE2 3.38Å; K198-E255 VanDerWaalsContact NZ-CD 3.25Å; K198-E255 IonicContact NZ-OE1 2.66Å; K198-E255 PolarHBondContact NZ-OE1 3.33Å; K198-E255 IonicContact NZ-OE2 3.8Å; K198-E255 PolarHBondContact NZ-OE2 3.22Å; K198-E255 VanDerWaalsContact NZ-OE2 3.11Å
199	V	49.1	Very low	41	Very low	74 Å²	74	123.4 Å²	123.4	45%	0.448	68%	0.675	S	S	.	*	B	Isolated β-bridge	trans	-97.1	110.5	171.5	-175.9	0	0	0	0	107.1	K197	K197-V199 PolarHBondContact O-N 3.14Å
200	E	34	Very low	39	Very low	186 Å²	186	128.2 Å²	128.2	87%	0.869	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-78.6	116.9	165.9	-68.2	177.2	177.1	0	0	107.6	A202	E200-A202 PolarHBondContact O-N 3.42Å
201	T	35.2	Very low	37.3	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-70.4	116.7	169.6	33.6	0	0	0	0	109.3
202	A	29.6	Very low	36.3	Very low	97 Å²	97	126.5 Å²	126.5	80%	0.802	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-63.8	135.7	174.4	0	0	0	0	0	111.3	E200	E200-A202 PolarHBondContact O-N 3.42Å
203	E	28.4	Very low	35.4	Very low	182 Å²	182	133 Å²	133	85%	0.85	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.5	173.8	-69.9	-178.8	156.7	0	0	111	E205	E203-E205 PolarHBondContact O-N 3.48Å
204	P	32.1	Very low	34.9	Very low	115 Å²	115	135 Å²	135	75%	0.747	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-71.6	118.7	164.1	27.7	-27.9	0	0	0	108.9	Q206	P204-Q206 PolarHBondContact O-N 3.17Å
205	E	27.6	Very low	34.3	Very low	195 Å²	195	138 Å²	138	91%	0.911	76%	0.756	S	S	*	*			trans	-55.4	105.4	169.9	-74	-174.2	156.3	0	0	109.6	E203	E203-E205 PolarHBondContact O-N 3.48Å
206	Q	30	Very low	33.4	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	77%	0.767	S	S	*	*			trans	-77.7	129.8	167.6	-75.6	-169.5	-10.5	0	0	109.5	P204 K208	P204-Q206 PolarHBondContact O-N 3.17Å; Q206-K208 PolarHBondContact O-N 3.34Å
207	P	29.5	Very low	32.6	Very low	117 Å²	117	146.6 Å²	146.6	76%	0.76	79%	0.791	S	S	*	*			trans	-66.8	124.7	167.9	3.6	9	0	0	0	108.5	D209	P207-D209 PolarHBondContact O-N 2.95Å
208	K	27.6	Very low	31.5	Very low	209 Å²	209	148.1 Å²	148.1	91%	0.909	80%	0.801	S	S	*	*			trans	-62.4	99.3	169.2	-72.4	177.5	178	174.7	0	108.9	Q206	Q206-K208 PolarHBondContact O-N 3.34Å
209	D	32.9	Very low	30.8	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	81%	0.81	S	S	*	*			trans	-114.5	135.5	163.4	-104.7	-29	0	0	0	112.5	P207	P207-D209 PolarHBondContact O-N 2.95Å
210	K	32.2	Very low	29.7	Very low	189 Å²	189	147.1 Å²	147.1	82%	0.822	83%	0.825	S	S	*	*			trans	-68.5	139.2	-163.9	-69.2	164.9	174.2	171.2	0	111.8	A212	K210-A212 PolarHBondContact O-N 3.29Å
211	T	26.5	Very low	29.7	Very low	142 Å²	142	147.7 Å²	147.7	87%	0.871	83%	0.828	S	S	*	*			trans	-37.6	123	159.6	40.8	0	0	0	0	113
212	A	33	Very low	29.2	Very low	99 Å²	99	151 Å²	151	82%	0.818	84%	0.835	S	S	*	*			trans	-134.3	117.8	159.7	0	0	0	0	0	108.6	K210	K210-A212 PolarHBondContact O-N 3.29Å
213	E	26.8	Very low	29.1	Very low	204 Å²	204	150.7 Å²	150.7	95%	0.953	83%	0.832	S	S	*	*			trans	-63.8	138	178.9	-63.8	169.7	143	0	0	111.4
214	G	30.2	Very low	29.1	Very low	68 Å²	68	148.7 Å²	148.7	70%	0.701	83%	0.832	S	S	*	*			trans	-121.6	142	168.3	0	0	0	0	0	110.5
215	P	30	Very low	28.9	Very low	124 Å²	124	152.8 Å²	152.8	81%	0.805	84%	0.839	S	S	*	*			trans	-86.4	142.9	-153.4	33.8	-33	0	0	0	113.6
216	K	25.1	Very low	29	Very low	204 Å²	204	152.8 Å²	152.8	89%	0.887	84%	0.839	S	S	*	*			trans	-68.6	127.3	166.9	-75.7	177.6	175.6	177.5	0	109.9
217	V	32.7	Very low	29	Very low	136 Å²	136	148.7 Å²	148.7	82%	0.824	84%	0.835	S	S	*	*			trans	-114.5	112	164.9	179.8	0	0	0	0	107.9
218	E	25.8	Very low	29.2	Very low	187 Å²	187	147.6 Å²	147.6	87%	0.874	82%	0.822	S	S	*	*			trans	-78.9	135.2	166.2	-69.6	177.6	161.9	0	0	109.2
219	G	29.4	Very low	29.5	Very low	74 Å²	74	140.1 Å²	140.1	76%	0.763	81%	0.805	S	S	*	*			trans	-160.2	93.6	178.7	0	0	0	0	0	110.9
220	S	25.9	Very low	29.6	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	80%	0.803	S	S	*	*			trans	-53.5	140.6	170.4	49.5	0	0	0	0	113.4
221	Q	32.6	Very low	30	Very low	198 Å²	198	136.2 Å²	136.2	93%	0.925	79%	0.787	S	S	*	*			trans	-165	129.5	134.8	-105.8	162.4	35.2	0	0	112.4
222	E	25.4	Very low	30.5	Very low	192 Å²	192	135 Å²	135	90%	0.897	77%	0.771	S	S	*	*			trans	-74.5	167.1	176.8	-67.5	172.9	127.6	0	0	112.8
223	A	27.4	Very low	30.9	Very low	90 Å²	90	137 Å²	137	74%	0.744	76%	0.763	S	S	*	*			trans	102.5	92.3	154.3	0	0	0	0	0	117.5
224	T	28.9	Very low	31.7	Very low	139 Å²	139	130.3 Å²	130.3	85%	0.853	73%	0.734	S	S	*	*				-176.6	107.5	111.5	22.7	0	0	0	0	109.1
225	K	27.9	Very low	32.3	Very low	202 Å²	202	130.9 Å²	130.9	88%	0.878	72%	0.721	S	S	*	*			trans	-84.8	154.4	177.2	-72.2	174.3	175.1	173.6	0	109.1
226	E	28.3	Very low	33.1	Very low	195 Å²	195	131.8 Å²	131.8	91%	0.911	71%	0.712	S	S	*	*	S	Bend	trans	93.7	54.9	167.5	-52.8	-179.6	175.6	0	0	117.6
227	A	30.6	Very low	34.4	Very low	88 Å²	88	125.6 Å²	125.6	73%	0.727	68%	0.684	S	S	*	*	S	Bend	trans	-164.2	-14.8	151.8	0	0	0	0	0	114.1	G229	A227-G229 PolarHBondContact O-N 2.85Å
228	N	33.6	Very low	35.3	Very low	94 Å²	94	123.2 Å²	123.2	50%	0.503	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	-3.5	-162.6	-85.4	-6	0	0	0	118	K230 T231 E232	N228-K230 VanDerWaalsContact C-N 3.33Å; N228-K230 PolarHBondContact O-N 3.44Å; N228-T231 PolarHBondContact O-N 3.5Å; N228-E232 HydrophobicContact CB-CG 4.48Å; N228-E232 WeakPolarHBondContact O-CG 3.42Å; N228-E232 PolarHBondContact O-N 3.33Å; N228-E232 VanDerWaalsContact O-N 3.09Å
229	G	33.6	Very low	36.2	Very low	52 Å²	52	118.5 Å²	118.5	54%	0.536	65%	0.647	S	S	.	*	H	α-helix	trans	-62.2	-32.5	-171	0	0	0	0	0	115.3	A227	A227-G229 PolarHBondContact O-N 2.85Å
230	K	36.3	Very low	37.1	Very low	186 Å²	186	120.4 Å²	120.4	81%	0.809	64%	0.637	S	S	*	*	H	α-helix	trans	-84.7	-26.7	-179.4	-69	-177.5	178.1	180	0	113.4	N228	N228-K230 VanDerWaalsContact C-N 3.33Å; N228-K230 PolarHBondContact O-N 3.44Å
231	T	39.7	Very low	38.2	Very low	77 Å²	77	118.9 Å²	118.9	47%	0.472	62%	0.62	S	S	.	*	H	α-helix	trans	-79.7	-32	178.2	-36.5	0	0	0	0	110.9	N228 N235	N228-T231 PolarHBondContact O-N 3.5Å; T231-N235 VanDerWaalsContact O-CB 3.28Å; T231-N235 WeakPolarHBondContact O-CB 3.48Å; T231-N235 VanDerWaalsContact O-CG 3.25Å; T231-N235 PolarHBondContact O-N 2.75Å; T231-N235 PolarHBondContact O-ND2 3.31Å
232	E	36.6	Very low	38.7	Very low	115 Å²	115	115.3 Å²	115.3	54%	0.537	60%	0.603	S	S	.	*	H	α-helix	trans	-70.3	-35.4	176.1	-76.5	179.4	-176.1	0	0	113.3	N228 K236	N228-E232 HydrophobicContact CB-CG 4.48Å; N228-E232 WeakPolarHBondContact O-CG 3.42Å; N228-E232 PolarHBondContact O-N 3.33Å; N228-E232 VanDerWaalsContact O-N 3.09Å; E232-K236 WeakPolarHBondContact O-CB 3.49Å; E232-K236 WeakPolarHBondContact O-CG 3.45Å; E232-K236 PolarHBondContact O-N 3Å
233	E	41.9	Very low	39.4	Very low	141 Å²	141	112.9 Å²	112.9	66%	0.659	59%	0.59	S	S	*	*	H	α-helix	trans	-70.2	-38.1	175.4	-76.3	-172.9	160.9	0	0	112.5	K236 Y237	E233-K236 WeakPolarHBondContact O-CB 3.43Å; E233-K236 PolarHBondContact O-N 2.66Å; E233-Y237 PolarHBondContact O-N 3.07Å
234	L	44.4	Very low	40.1	Very low	65 Å²	65	113.7 Å²	113.7	34%	0.34	58%	0.578	S	S	.	*	H	α-helix	trans	-72.3	-39	177	-160.9	77.1	0	0	0	111.8	Q85 K236 Y237 L238	Q85-L234 VanDerWaalsContact NE2-CD2 3.28Å; L234-K236 VanDerWaalsContact C-N 3.31Å; L234-Y237 WeakPolarHBondContact O-CB 3.31Å; L234-Y237 PolarHBondContact O-N 2.95Å; L234-Y237 VanDerWaalsContact O-N 3.13Å; L234-L238 PolarHBondContact O-N 3.19Å
235	N	42.5	Very low	40.8	Very low	80 Å²	80	111.8 Å²	111.8	43%	0.428	56%	0.563	S	S	.	*	H	α-helix	trans	-67.2	-32	171.8	-76.2	-11.5	0	0	0	111.8	T231 Y237 N239	T231-N235 VanDerWaalsContact O-CB 3.28Å; T231-N235 WeakPolarHBondContact O-CB 3.48Å; T231-N235 VanDerWaalsContact O-CG 3.25Å; T231-N235 PolarHBondContact O-N 2.75Å; T231-N235 PolarHBondContact O-ND2 3.31Å; N235-Y237 VanDerWaalsContact C-N 3.32Å; N235-N239 VanDerWaalsContact O-CB 3.22Å; N235-N239 WeakPolarHBondContact O-CB 3.46Å; N235-N239 PolarHBondContact O-N 3.43Å; N235-N239 PolarHBondContact O-ND2 3.06Å
236	K	47.4	Very low	41.3	Very low	142 Å²	142	108.7 Å²	108.7	62%	0.617	55%	0.551	S	S	*	*	H	α-helix	trans	-63.9	-37	168.3	-89.3	177.3	177.7	173.1	0	112.1	E232 E233 L234 M240	E232-K236 WeakPolarHBondContact O-CB 3.49Å; E232-K236 WeakPolarHBondContact O-CG 3.45Å; E232-K236 PolarHBondContact O-N 3Å; E233-K236 WeakPolarHBondContact O-CB 3.43Å; E233-K236 PolarHBondContact O-N 2.66Å; L234-K236 VanDerWaalsContact C-N 3.31Å; K236-M240 WeakPolarHBondContact O-CB 3.4Å; K236-M240 VanDerWaalsContact O-CG 3.31Å; K236-M240 WeakPolarHBondContact O-CG 3.19Å; K236-M240 PolarHBondContact O-N 3.31Å
237	Y	51.2	Low	41.9	Very low	74 Å²	74	105.6 Å²	105.6	29%	0.29	54%	0.537	S	S	.	.	H	α-helix	trans	-71.2	-41.7	177.2	-125	-94.7	0	0	0	112.5	Y129 R132 E233 L234 N235 M240 L241	Y129-Y237 HydrophobicContact CE2-CE1 4.3Å; Y129-Y237 WeakPolarHBondContact OH-CD1 3.26Å; R132-Y237 PolarHBondContact NH2-OH 3.31Å; E233-Y237 PolarHBondContact O-N 3.07Å; L234-Y237 WeakPolarHBondContact O-CB 3.31Å; L234-Y237 PolarHBondContact O-N 2.95Å; L234-Y237 VanDerWaalsContact O-N 3.13Å; N235-Y237 VanDerWaalsContact C-N 3.32Å; Y237-M240 PolarHBondContact O-N 3.11Å; Y237-L241 WeakPolarHBondContact O-CG 3.39Å; Y237-L241 PolarHBondContact O-N 3.32Å
238	L	52	Low	42.5	Very low	87 Å²	87	107 Å²	107	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-43	171.6	-81.4	154	0	0	0	111.6	L234 M240 L241 E242	L234-L238 PolarHBondContact O-N 3.19Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 3.39Å; L238-L241 PolarHBondContact O-N 2.89Å; L238-E242 WeakPolarHBondContact O-CG 3.34Å; L238-E242 PolarHBondContact O-N 3.12Å
239	N	44.3	Very low	42.8	Very low	87 Å²	87	107.3 Å²	107.3	47%	0.465	53%	0.53	S	S	.	.	H	α-helix	trans	-70.8	-22.1	174.5	-72	-17.5	0	0	0	113.4	N235 K243	N235-N239 VanDerWaalsContact O-CB 3.22Å; N235-N239 WeakPolarHBondContact O-CB 3.46Å; N235-N239 PolarHBondContact O-N 3.43Å; N235-N239 PolarHBondContact O-ND2 3.06Å; N239-K243 VanDerWaalsContact O-CB 3.31Å; N239-K243 WeakPolarHBondContact O-CB 3.22Å; N239-K243 WeakPolarHBondContact O-CG 3.31Å; N239-K243 PolarHBondContact O-N 3.45Å; N239-K243 VanDerWaalsContact O-N 3.15Å
240	M	49.4	Very low	43.1	Very low	114 Å²	114	113 Å²	113	56%	0.562	54%	0.54	S	S	*	.	H	α-helix	trans	-76.9	-40.1	171.9	-86.5	176.1	156.4	0	0	110.7	K236 Y237 L238 K243 E244	K236-M240 WeakPolarHBondContact O-CB 3.4Å; K236-M240 VanDerWaalsContact O-CG 3.31Å; K236-M240 WeakPolarHBondContact O-CG 3.19Å; K236-M240 PolarHBondContact O-N 3.31Å; Y237-M240 PolarHBondContact O-N 3.11Å; L238-M240 VanDerWaalsContact C-N 3.3Å; L238-M240 PolarHBondContact O-N 3.39Å; M240-K243 PolarHBondContact O-N 3.42Å; M240-E244 WeakPolarHBondContact O-CB 3.16Å; M240-E244 WeakPolarHBondContact O-CG 3.37Å; M240-E244 PolarHBondContact O-N 2.85Å
241	L	48.4	Very low	43.4	Very low	79 Å²	79	109.2 Å²	109.2	41%	0.414	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-43.2	172.2	-70.9	162.4	0	0	0	111.2	Y237 L238 K243 E244 D245	Y237-L241 WeakPolarHBondContact O-CG 3.39Å; Y237-L241 PolarHBondContact O-N 3.32Å; L238-L241 PolarHBondContact O-N 2.89Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 2.86Å; L241-E244 PolarHBondContact O-N 2.81Å; L241-D245 VanDerWaalsContact O-CG 3.24Å; L241-D245 PolarHBondContact O-N 2.95Å; L241-D245 VanDerWaalsContact O-N 3.12Å
242	E	43.2	Very low	43.6	Very low	123 Å²	123	112.7 Å²	112.7	58%	0.575	54%	0.536	S	S	*	.	H	α-helix	trans	-68.2	-26.9	175.4	-72.5	179.8	175.1	0	0	113.5	L238	L238-E242 WeakPolarHBondContact O-CG 3.34Å; L238-E242 PolarHBondContact O-N 3.12Å
243	K	40.6	Very low	43.7	Very low	140 Å²	140	115.4 Å²	115.4	61%	0.609	55%	0.553	S	S	*	*	H	α-helix	trans	-85.9	-26.9	176.2	-79.4	-179.3	178.8	-173	0	113.8	N239 M240 L241 E246	N239-K243 VanDerWaalsContact O-CB 3.31Å; N239-K243 WeakPolarHBondContact O-CB 3.22Å; N239-K243 WeakPolarHBondContact O-CG 3.31Å; N239-K243 PolarHBondContact O-N 3.45Å; N239-K243 VanDerWaalsContact O-N 3.15Å; M240-K243 PolarHBondContact O-N 3.42Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-K243 PolarHBondContact O-N 2.86Å; K243-E246 PolarHBondContact O-N 3.24Å
244	E	40.8	Very low	44.3	Very low	107 Å²	107	113.3 Å²	113.3	50%	0.5	55%	0.546	S	S	.	.	H	α-helix	trans	-73.6	-31.3	171.7	-75.3	178.5	175.3	0	0	110.8	M240 L241 E246 E247 E248	M240-E244 WeakPolarHBondContact O-CB 3.16Å; M240-E244 WeakPolarHBondContact O-CG 3.37Å; M240-E244 PolarHBondContact O-N 2.85Å; L241-E244 PolarHBondContact O-N 2.81Å; E244-E246 PolarHBondContact O-N 3.15Å; E244-E247 PolarHBondContact O-N 3.27Å; E244-E248 PolarHBondContact O-N 2.73Å; E244-E248 VanDerWaalsContact O-N 3.16Å
245	D	43.1	Very low	45.1	Very low	99 Å²	99	114.8 Å²	114.8	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-61	-29.4	169.8	-72.1	-22.2	0	0	0	112.4	L241	L241-D245 VanDerWaalsContact O-CG 3.24Å; L241-D245 PolarHBondContact O-N 2.95Å; L241-D245 VanDerWaalsContact O-N 3.12Å
246	E	39.4	Very low	46.4	Very low	137 Å²	137	112.4 Å²	112.4	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-75.9	-18.9	173.2	-67.9	-174.2	165.7	0	0	113.5	K243 E244	K243-E246 PolarHBondContact O-N 3.24Å; E244-E246 PolarHBondContact O-N 3.15Å
247	E	40.5	Very low	48	Very low	131 Å²	131	107 Å²	107	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-89.3	-28.3	175.9	-69.1	-163.4	156.4	0	0	112.8	E244 D249 K250	E244-E247 PolarHBondContact O-N 3.27Å; E247-D249 VanDerWaalsContact C-N 3.28Å; E247-D249 PolarHBondContact O-N 3.04Å; E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 2.8Å
248	E	43.3	Very low	49.4	Very low	116 Å²	116	104.5 Å²	104.5	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-66.9	-28.4	172.5	-72.8	-164.4	167.3	0	0	112.6	E244 K250 I251	E244-E248 PolarHBondContact O-N 2.73Å; E244-E248 VanDerWaalsContact O-N 3.16Å; E248-K250 PolarHBondContact O-N 3.3Å; E248-K250 VanDerWaalsContact O-N 3.17Å; E248-I251 PolarHBondContact O-N 2.85Å
249	D	40.1	Very low	51	Low	101 Å²	101	101.1 Å²	101.1	54%	0.54	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.5	174.3	-96.9	-32.6	0	0	0	114	E247 K252	E247-D249 VanDerWaalsContact C-N 3.28Å; E247-D249 PolarHBondContact O-N 3.04Å; D249-K252 WeakPolarHBondContact OD1-CE 3.31Å; D249-K252 IonicContact OD1-NZ 2.72Å; D249-K252 PolarHBondContact OD1-NZ 2.94Å
250	K	41	Very low	53	Low	172 Å²	172	99.5 Å²	99.5	75%	0.748	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	5	174.1	-70.4	176.2	-178.6	163.3	0	114.3	E247 E248	E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 2.8Å; E248-K250 PolarHBondContact O-N 3.3Å; E248-K250 VanDerWaalsContact O-N 3.17Å
251	I	42.2	Very low	54.7	Low	106 Å²	106	94.1 Å²	94.1	54%	0.544	45%	0.454	S	S	.	.			trans	-108.9	59.7	179.2	-46.5	175.6	0	0	0	111.2	E248 L254	E248-I251 PolarHBondContact O-N 2.85Å; I251-L254 HydrophobicContact CG2-CD1 3.75Å; I251-L254 HydrophobicContact CG2-CG 4.08Å
252	K	43.1	Very low	56.4	Low	150 Å²	150	95.6 Å²	95.6	65%	0.652	45%	0.454	S	S	*	.			trans	-112.5	46	-177.6	-75.4	179	-177.2	153	0	114.6	D249	D249-K252 WeakPolarHBondContact OD1-CE 3.31Å; D249-K252 IonicContact OD1-NZ 2.72Å; D249-K252 PolarHBondContact OD1-NZ 2.94Å
253	L	39.7	Very low	58	Low	172 Å²	172	91.9 Å²	91.9	90%	0.901	44%	0.44	S	S	*	.			trans	-137.7	29.9	170.5	-101.5	155.9	0	0	0	112.5
254	L	54	Low	59.8	Low	98 Å²	98	93.4 Å²	93.4	51%	0.513	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-85.3	122.2	177.4	-70.8	170.8	0	0	0	110.8	I251 T256	I251-L254 HydrophobicContact CG2-CD1 3.75Å; I251-L254 HydrophobicContact CG2-CG 4.08Å; L254-T256 PolarHBondContact O-N 3.43Å
255	E	60.8	Low	61.9	Low	95 Å²	95	89.6 Å²	89.6	44%	0.444	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-60	124.1	174.3	-59.4	-174.4	161.8	0	0	110.1	K198 F257	K198-E255 WeakPolarHBondContact CE-OE1 3.36Å; K198-E255 WeakPolarHBondContact CE-OE2 3.38Å; K198-E255 VanDerWaalsContact NZ-CD 3.25Å; K198-E255 IonicContact NZ-OE1 2.66Å; K198-E255 PolarHBondContact NZ-OE1 3.33Å; K198-E255 IonicContact NZ-OE2 3.8Å; K198-E255 PolarHBondContact NZ-OE2 3.22Å; K198-E255 VanDerWaalsContact NZ-OE2 3.11Å; E255-F257 HydrophobicContact CB-CE2 3.97Å; E255-F257 WeakPolarHBondContact O-CD2 2.97Å
256	T	69.4	Low	63.7	Low	30 Å²	30	85.7 Å²	85.7	18%	0.184	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-96.3	126.4	175.9	-53.1	0	0	0	0	109.5	E168 L254 V258	E168-T256 HydrophobicContact CB-CG2 4.02Å; L254-T256 PolarHBondContact O-N 3.43Å; T256-V258 HydrophobicContact CG2-CG2 4.11Å
257	F	80.6	Confident	65.5	Low	30 Å²	30	81.9 Å²	81.9	13%	0.132	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.9	-179.4	-69	-108.6	0	0	0	108.8	E168 S169 P172 I175 V196 E255	E168-F257 WeakPolarHBondContact CA-O 3.37Å; S169-F257 PolarHBondContact N-O 2.75Å; S169-F257 PolarHBondContact O-N 2.86Å; P172-F257 HydrophobicContact CB-CD1 4.19Å; P172-F257 HydrophobicContact CB-CD2 4.35Å; P172-F257 HydrophobicContact CB-CE1 3.82Å; P172-F257 HydrophobicContact CB-CE2 3.94Å; P172-F257 HydrophobicContact CB-CZ 3.72Å; P172-F257 HydrophobicContact CG-CE2 4.24Å; P172-F257 HydrophobicContact CG-CZ 4.23Å; I175-F257 HydrophobicContact CD1-CB 3.31Å; I175-F257 HydrophobicContact CD1-CG 4.45Å; I175-F257 VanDerWaalsContact CD1-O 3.28Å; I175-F257 WeakPolarHBondContact CD1-O 3.25Å; V196-F257 HydrophobicContact CB-CD1 3.82Å; V196-F257 HydrophobicContact CB-CE1 4.2Å; V196-F257 HydrophobicContact CG1-CB 4.07Å; V196-F257 HydrophobicContact CG1-CD1 3Å; V196-F257 HydrophobicContact CG1-CE1 3.37Å; V196-F257 HydrophobicContact CG1-CG 3.67Å; V196-F257 HydrophobicContact CG1-CZ 4.33Å; V196-F257 HydrophobicContact CG2-CD1 3.46Å; V196-F257 VanDerWaalsContact CG2-CD1 3.46Å; V196-F257 HydrophobicContact CG2-CE1 3.96Å; E255-F257 HydrophobicContact CB-CE2 3.97Å; E255-F257 WeakPolarHBondContact O-CD2 2.97Å
258	V	82.1	Confident	67.5	Low	21 Å²	21	79 Å²	79	13%	0.127	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.4	-171.3	-171.3	0	0	0	0	112.3	F166 V167 E168 T256	F166-V258 HydrophobicContact CB-CG1 3.7Å; F166-V258 HydrophobicContact CD1-CG1 3.76Å; F166-V258 HydrophobicContact CG-CG1 4.05Å; V167-V258 WeakPolarHBondContact O-CA 3.39Å; E168-V258 HydrophobicContact CB-CG2 4.33Å; E168-V258 HydrophobicContact CG-CB 4.43Å; E168-V258 HydrophobicContact CG-CG1 4.01Å; E168-V258 HydrophobicContact CG-CG2 3.77Å; T256-V258 HydrophobicContact CG2-CG2 4.11Å
259	F	85.4	Confident	69.6	Low	15 Å²	15	73.5 Å²	73.5	7%	0.066	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	166.7	64.3	-97.1	0	0	0	112.3	F166 V167 I175 V179 L188 V261	F166-F259 CarbonylContact C-O 3.59Å; F166-F259 WeakPolarHBondContact CA-O 3.36Å; V167-F259 HydrophobicContact CB-CD1 4.18Å; V167-F259 HydrophobicContact CB-CD2 4.12Å; V167-F259 HydrophobicContact CB-CE1 3.68Å; V167-F259 HydrophobicContact CB-CE2 3.64Å; V167-F259 HydrophobicContact CB-CG 4.4Å; V167-F259 HydrophobicContact CB-CZ 3.4Å; V167-F259 VanDerWaalsContact CB-CZ 3.4Å; V167-F259 HydrophobicContact CG1-CD1 4.49Å; V167-F259 HydrophobicContact CG1-CE1 3.65Å; V167-F259 HydrophobicContact CG1-CE2 4.29Å; V167-F259 HydrophobicContact CG1-CZ 3.55Å; V167-F259 HydrophobicContact CG2-CD2 4.44Å; V167-F259 HydrophobicContact CG2-CE2 3.71Å; V167-F259 HydrophobicContact CG2-CZ 3.79Å; V167-F259 PolarHBondContact N-O 3.32Å; V167-F259 PolarHBondContact O-N 2.89Å; V167-F259 VanDerWaalsContact O-N 3.14Å; I175-F259 HydrophobicContact CG1-CE1 4.34Å; I175-F259 HydrophobicContact CG2-CD1 4.28Å; I175-F259 HydrophobicContact CG2-CE1 4.4Å; V179-F259 HydrophobicContact CG2-CD1 4.4Å; V179-F259 HydrophobicContact CG2-CE1 4.4Å; L188-F259 HydrophobicContact CD2-CB 4.43Å; L188-F259 HydrophobicContact CD2-CD2 3.19Å; L188-F259 HydrophobicContact CD2-CE2 3.56Å; L188-F259 HydrophobicContact CD2-CG 4.03Å; F259-V261 HydrophobicContact CD2-CG2 3.91Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å
260	E	85.9	Confident	71.6	Confident	54 Å²	54	69.9 Å²	69.9	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.1	-177	-169.4	174.8	163.5	0	0	112.5	R164 Y165 F166	R164-E260 WeakPolarHBondContact CD-OE1 3.39Å; R164-E260 IonicContact NH1-OE1 2.76Å; Y165-E260 WeakPolarHBondContact O-CA 3.34Å; F166-E260 HydrophobicContact CD1-CB 3.99Å; F166-E260 HydrophobicContact CD1-CG 4.29Å; F166-E260 HydrophobicContact CE1-CB 3.76Å; F166-E260 HydrophobicContact CE1-CG 3.85Å; F166-E260 HydrophobicContact CZ-CG 4.32Å
261	V	85.5	Confident	73.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.1	-174.6	179.7	0	0	0	0	111	Y165 V167 C187 F259 I266 L269	Y165-V261 PolarHBondContact O-N 3.05Å; V167-V261 HydrophobicContact CG2-CG2 3.79Å; C187-V261 HydrophobicContact CB-CG1 4.4Å; F259-V261 HydrophobicContact CD2-CG2 3.91Å; F259-V261 HydrophobicContact CE2-CG2 3.7Å; V261-I266 HydrophobicContact CG1-CD1 4.39Å; V261-L269 HydrophobicContact CB-CD2 4.22Å; V261-L269 HydrophobicContact CG1-CD2 3.59Å; V261-L269 HydrophobicContact CG2-CD2 3.64Å
262	R	84	Confident	75.4	Confident	109 Å²	109	62.6 Å²	62.6	41%	0.411	30%	0.303	S	S	.	.			trans	-68.1	129.3	173.7	-63.5	-173.7	-69.9	163.6	1.9	111.4	E186 C187 L189 E264 T265	E186-R262 PolarHBondContact O-NH2 2.9Å; C187-R262 PolarHBondContact O-N 3.45Å; C187-R262 VanDerWaalsContact O-N 3.09Å; L189-R262 HydrophobicContact CB-CG 4.09Å; L189-R262 HydrophobicContact CD1-CG 4.04Å; L189-R262 HydrophobicContact CG-CG 4.18Å; R262-E264 VanDerWaalsContact C-N 3.33Å; R262-E264 PolarHBondContact O-N 3.45Å; R262-T265 WeakPolarHBondContact CB-OG1 3.26Å; R262-T265 PolarHBondContact O-N 3.41Å; R262-T265 PolarHBondContact O-OG1 3.47Å
263	P	77	Confident	77.4	Confident	45 Å²	45	55.6 Å²	55.6	29%	0.292	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.4	-38.3	-177.3	-26.5	33.8	0	0	0	114.5	Y165 T265 I266	Y165-P263 HydrophobicContact CD2-CB 4.17Å; Y165-P263 HydrophobicContact CD2-CG 4.31Å; Y165-P263 HydrophobicContact CE2-CB 4.27Å; P263-T265 PolarHBondContact O-N 3.37Å; P263-I266 WeakPolarHBondContact O-CB 3.38Å; P263-I266 VanDerWaalsContact O-CG2 3.26Å; P263-I266 WeakPolarHBondContact O-CG2 3.43Å; P263-I266 PolarHBondContact O-N 3.5Å
264	E	78.9	Confident	79.2	Confident	173 Å²	173	48.2 Å²	48.2	81%	0.808	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-65.3	-27.5	-178	-60.6	-178.4	177.2	0	0	113	R262	R262-E264 VanDerWaalsContact C-N 3.33Å; R262-E264 PolarHBondContact O-N 3.45Å
265	T	83.5	Confident	80.5	Confident	26 Å²	26	47 Å²	47	16%	0.16	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-97.1	9.7	-177.7	55.8	0	0	0	0	113.1	R262 P263 E267 T268 L269	R262-T265 WeakPolarHBondContact CB-OG1 3.26Å; R262-T265 PolarHBondContact O-N 3.41Å; R262-T265 PolarHBondContact O-OG1 3.47Å; P263-T265 PolarHBondContact O-N 3.37Å; T265-E267 VanDerWaalsContact C-N 3.26Å; T265-E267 PolarHBondContact O-N 2.81Å; T265-T268 WeakPolarHBondContact CA-OG1 3.32Å; T265-T268 PolarHBondContact O-N 2.78Å; T265-T268 PolarHBondContact O-OG1 3.09Å; T265-L269 WeakPolarHBondContact O-CB 3.44Å; T265-L269 PolarHBondContact O-N 3.21Å
266	I	81.2	Confident	81.5	Confident	18 Å²	18	43.7 Å²	43.7	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-35.8	-176.6	-164.1	62	0	0	0	112.3	L158 Y165 V261 P263 L269 Q270	L158-I266 HydrophobicContact CD1-CD1 3.74Å; L158-I266 HydrophobicContact CD2-CD1 3.78Å; L158-I266 HydrophobicContact CD2-CG1 4.2Å; L158-I266 HydrophobicContact CG-CD1 4.42Å; Y165-I266 HydrophobicContact CD1-CD1 4.38Å; Y165-I266 HydrophobicContact CG-CD1 4.23Å; V261-I266 HydrophobicContact CG1-CD1 4.39Å; P263-I266 WeakPolarHBondContact O-CB 3.38Å; P263-I266 VanDerWaalsContact O-CG2 3.26Å; P263-I266 WeakPolarHBondContact O-CG2 3.43Å; P263-I266 PolarHBondContact O-N 3.5Å; I266-L269 HydrophobicContact CD1-CD2 4.36Å; I266-L269 PolarHBondContact O-N 3.36Å; I266-Q270 WeakPolarHBondContact O-CB 3.37Å; I266-Q270 WeakPolarHBondContact O-CG 3.17Å; I266-Q270 PolarHBondContact O-N 2.87Å
267	E	77	Confident	81.8	Confident	57 Å²	57	44.9 Å²	44.9	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-67.3	-46.4	179.9	-175.8	-175.8	122.3	0	0	111.3	T265 L269 Q270 K271 R447	T265-E267 VanDerWaalsContact C-N 3.26Å; T265-E267 PolarHBondContact O-N 2.81Å; E267-L269 VanDerWaalsContact C-N 3.31Å; E267-L269 PolarHBondContact O-N 2.7Å; E267-Q270 PolarHBondContact O-N 3.22Å; E267-K271 WeakPolarHBondContact O-CB 3.21Å; E267-K271 PolarHBondContact O-N 3.25Å; E267-R447 VanDerWaalsContact CD-CZ 3.46Å; E267-R447 IonicContact OE1-CZ 3.03Å; E267-R447 IonicContact OE1-NE 3.32Å; E267-R447 PolarHBondContact OE1-NE 3.19Å; E267-R447 VanDerWaalsContact OE1-NE 3.09Å; E267-R447 IonicContact OE1-NH2 2.7Å; E267-R447 PolarHBondContact OE1-NH2 2.98Å; E267-R447 IonicContact OE2-CZ 3.86Å; E267-R447 IonicContact OE2-NE 3.26Å; E267-R447 PolarHBondContact OE2-NE 2.69Å; E267-R447 IonicContact OE2-NH2 3.11Å
268	T	83.8	Confident	81.9	Confident	70 Å²	70	44.8 Å²	44.8	43%	0.429	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-38.9	174.9	33.4	0	0	0	0	111.4	T265 R272	T265-T268 WeakPolarHBondContact CA-OG1 3.32Å; T265-T268 PolarHBondContact O-N 2.78Å; T265-T268 PolarHBondContact O-OG1 3.09Å; T268-R272 VanDerWaalsContact O-CB 3.27Å; T268-R272 WeakPolarHBondContact O-CB 3.48Å; T268-R272 PolarHBondContact O-N 3.23Å
269	L	86.2	Confident	81.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-49.9	175.5	179.8	66.7	0	0	0	111.2	V167 V184 C187 V261 T265 I266 E267 K271 R272 C273 L280	V167-L269 HydrophobicContact CG2-CD2 4.04Å; V184-L269 HydrophobicContact CB-CD1 4.29Å; V184-L269 HydrophobicContact CG1-CD1 3.88Å; V184-L269 HydrophobicContact CG2-CD1 3.95Å; C187-L269 HydrophobicContact CB-CB 4.49Å; V261-L269 HydrophobicContact CB-CD2 4.22Å; V261-L269 HydrophobicContact CG1-CD2 3.59Å; V261-L269 HydrophobicContact CG2-CD2 3.64Å; T265-L269 WeakPolarHBondContact O-CB 3.44Å; T265-L269 PolarHBondContact O-N 3.21Å; I266-L269 HydrophobicContact CD1-CD2 4.36Å; I266-L269 PolarHBondContact O-N 3.36Å; E267-L269 VanDerWaalsContact C-N 3.31Å; E267-L269 PolarHBondContact O-N 2.7Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.47Å; L269-R272 PolarHBondContact O-N 3.34Å; L269-C273 VanDerWaalsContact O-CB 3.25Å; L269-C273 WeakPolarHBondContact O-CB 3.18Å; L269-C273 PolarHBondContact O-N 3.36Å; L269-C273 PolarHBondContact O-SG 3.3Å; L269-C273 VanDerWaalsContact O-SG 3.34Å; L269-L280 HydrophobicContact CD2-CD1 3.92Å; L269-L280 HydrophobicContact CG-CD1 3.95Å
270	Q	82.2	Confident	81.5	Confident	24 Å²	24	44.9 Å²	44.9	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-45.7	178	-77.1	-179.4	-34.8	0	0	111.4	I266 E267 C273 I274 L280	I266-Q270 WeakPolarHBondContact O-CB 3.37Å; I266-Q270 WeakPolarHBondContact O-CG 3.17Å; I266-Q270 PolarHBondContact O-N 2.87Å; E267-Q270 PolarHBondContact O-N 3.22Å; Q270-C273 PolarHBondContact O-N 3.07Å; Q270-I274 WeakPolarHBondContact O-CD1 3.43Å; Q270-I274 VanDerWaalsContact O-CG1 3.3Å; Q270-I274 WeakPolarHBondContact O-CG1 3.26Å; Q270-I274 PolarHBondContact O-N 3.03Å; Q270-I274 VanDerWaalsContact O-N 3.1Å; Q270-L280 HydrophobicContact CG-CD1 3.96Å
271	K	79.3	Confident	81.1	Confident	55 Å²	55	43 Å²	43	24%	0.239	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-48.1	176.4	-174.9	176	174.9	178.1	0	111.1	D28 E267 L269 I274 E275	D28-K271 WeakPolarHBondContact OD1-CE 3.4Å; D28-K271 IonicContact OD1-NZ 3.25Å; D28-K271 PolarHBondContact OD1-NZ 3.12Å; D28-K271 IonicContact OD2-NZ 3.42Å; D28-K271 PolarHBondContact OD2-NZ 3.28Å; E267-K271 WeakPolarHBondContact O-CB 3.21Å; E267-K271 PolarHBondContact O-N 3.25Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.47Å; K271-I274 WeakPolarHBondContact O-CB 3.3Å; K271-I274 PolarHBondContact O-N 3.18Å; K271-E275 WeakPolarHBondContact CE-OE1 3.29Å; K271-E275 WeakPolarHBondContact O-CG 3.38Å; K271-E275 PolarHBondContact O-N 3.17Å; K271-E275 VanDerWaalsContact O-N 3.09Å
272	R	84.8	Confident	80.8	Confident	71 Å²	71	44.3 Å²	44.3	27%	0.268	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-40.2	-179.4	-172.7	64.1	-178.8	155	4.6	112.7	D181 V183 V184 T268 L269 I274 E275 I276	D181-R272 IonicContact OD1-CZ 2.79Å; D181-R272 IonicContact OD1-NE 3.62Å; D181-R272 PolarHBondContact OD1-NE 3.16Å; D181-R272 IonicContact OD1-NH2 3.77Å; D181-R272 IonicContact OD2-CZ 2.69Å; D181-R272 IonicContact OD2-NE 2.59Å; D181-R272 PolarHBondContact OD2-NE 3.1Å; D181-R272 IonicContact OD2-NH2 2.74Å; D181-R272 PolarHBondContact OD2-NH2 3.48Å; V183-R272 HydrophobicContact CB-CG 3.96Å; V183-R272 HydrophobicContact CG1-CB 4.19Å; V183-R272 HydrophobicContact CG1-CG 4.05Å; V184-R272 HydrophobicContact CG2-CG 4.19Å; T268-R272 VanDerWaalsContact O-CB 3.27Å; T268-R272 WeakPolarHBondContact O-CB 3.48Å; T268-R272 PolarHBondContact O-N 3.23Å; L269-R272 PolarHBondContact O-N 3.34Å; R272-I274 VanDerWaalsContact C-N 3.25Å; R272-I274 PolarHBondContact O-N 3.4Å; R272-E275 VanDerWaalsContact CD-OE2 3.3Å; R272-E275 WeakPolarHBondContact CD-OE2 3.45Å; R272-E275 IonicContact CZ-OE2 2.91Å; R272-E275 IonicContact NE-OE2 3.6Å; R272-E275 IonicContact NH1-OE2 2.6Å; R272-E275 PolarHBondContact NH1-OE2 3.17Å; R272-E275 WeakPolarHBondContact O-CB 3.39Å; R272-E275 PolarHBondContact O-N 2.84Å; R272-E275 VanDerWaalsContact O-N 3.09Å; R272-I276 HydrophobicContact CG-CD1 3.78Å; R272-I276 HydrophobicContact CG-CG1 4.36Å; R272-I276 VanDerWaalsContact O-CG1 3.28Å; R272-I276 WeakPolarHBondContact O-CG1 3.5Å; R272-I276 PolarHBondContact O-N 3.3Å
273	C	83.8	Confident	80.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-37.7	174.6	-82.2	0	0	0	0	111.9	L269 Q270 I276 E277 Y278 L280	L269-C273 VanDerWaalsContact O-CB 3.25Å; L269-C273 WeakPolarHBondContact O-CB 3.18Å; L269-C273 PolarHBondContact O-N 3.36Å; L269-C273 PolarHBondContact O-SG 3.3Å; L269-C273 VanDerWaalsContact O-SG 3.34Å; Q270-C273 PolarHBondContact O-N 3.07Å; C273-I276 PolarHBondContact O-N 2.94Å; C273-E277 PolarHBondContact O-N 3.04Å; C273-Y278 VanDerWaalsContact CB-O 3.27Å; C273-Y278 WeakPolarHBondContact CB-O 3.39Å; C273-Y278 CarbonylContact O-C 3.54Å; C273-Y278 PolarHBondContact O-N 3.08Å; C273-L280 HydrophobicContact CB-CD1 4.45Å; C273-L280 HydrophobicContact CB-CG 3.97Å
274	I	78.3	Confident	80.9	Confident	18 Å²	18	39.1 Å²	39.1	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-43.1	173.1	-68.3	163.2	0	0	0	111	P30 Q270 K271 R272 I276 E277 P279 F477	P30-I274 HydrophobicContact CB-CG2 4.44Å; P30-I274 HydrophobicContact CG-CG2 3.66Å; Q270-I274 WeakPolarHBondContact O-CD1 3.43Å; Q270-I274 VanDerWaalsContact O-CG1 3.3Å; Q270-I274 WeakPolarHBondContact O-CG1 3.26Å; Q270-I274 PolarHBondContact O-N 3.03Å; Q270-I274 VanDerWaalsContact O-N 3.1Å; K271-I274 WeakPolarHBondContact O-CB 3.3Å; K271-I274 PolarHBondContact O-N 3.18Å; R272-I274 VanDerWaalsContact C-N 3.25Å; R272-I274 PolarHBondContact O-N 3.4Å; I274-I276 VanDerWaalsContact C-N 3.3Å; I274-I276 PolarHBondContact O-N 2.84Å; I274-E277 WeakPolarHBondContact O-CA 3.41Å; I274-E277 PolarHBondContact O-N 2.96Å; I274-P279 HydrophobicContact CG1-CB 3.96Å; I274-F477 HydrophobicContact CD1-CB 3.31Å; I274-F477 HydrophobicContact CD1-CG 4.29Å
275	E	80.3	Confident	81.1	Confident	73 Å²	73	33 Å²	33	34%	0.341	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-34.7	176.8	-68.2	169.2	-167	0	0	113	K271 R272 E277	K271-E275 WeakPolarHBondContact CE-OE1 3.29Å; K271-E275 WeakPolarHBondContact O-CG 3.38Å; K271-E275 PolarHBondContact O-N 3.17Å; K271-E275 VanDerWaalsContact O-N 3.09Å; R272-E275 VanDerWaalsContact CD-OE2 3.3Å; R272-E275 WeakPolarHBondContact CD-OE2 3.45Å; R272-E275 IonicContact CZ-OE2 2.91Å; R272-E275 IonicContact NE-OE2 3.6Å; R272-E275 IonicContact NH1-OE2 2.6Å; R272-E275 PolarHBondContact NH1-OE2 3.17Å; R272-E275 WeakPolarHBondContact O-CB 3.39Å; R272-E275 PolarHBondContact O-N 2.84Å; R272-E275 VanDerWaalsContact O-N 3.09Å; E275-E277 PolarHBondContact O-N 3.08Å
276	I	82.3	Confident	81	Confident	24 Å²	24	32.5 Å²	32.5	12%	0.123	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.5	175.8	-54.7	163.4	0	0	0	111.5	L178 D181 V184 R272 C273 I274 Y278	L178-I276 HydrophobicContact CD2-CD1 4.37Å; D181-I276 HydrophobicContact CB-CD1 3.8Å; D181-I276 WeakPolarHBondContact OD2-CD1 3.18Å; V184-I276 HydrophobicContact CG2-CD1 4.15Å; R272-I276 HydrophobicContact CG-CD1 3.78Å; R272-I276 HydrophobicContact CG-CG1 4.36Å; R272-I276 VanDerWaalsContact O-CG1 3.28Å; R272-I276 WeakPolarHBondContact O-CG1 3.5Å; R272-I276 PolarHBondContact O-N 3.3Å; C273-I276 PolarHBondContact O-N 2.94Å; I274-I276 VanDerWaalsContact C-N 3.3Å; I274-I276 PolarHBondContact O-N 2.84Å; I276-Y278 VanDerWaalsContact C-N 3.3Å; I276-Y278 HydrophobicContact CG2-CD2 4.09Å; I276-Y278 PolarHBondContact O-N 2.92Å
277	E	76.4	Confident	81	Confident	56 Å²	56	39.3 Å²	39.3	26%	0.262	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	15.1	-179.4	-51.7	171.5	173.9	0	0	114.6	V32 S152 C273 I274 E275 P279	V32-E277 WeakPolarHBondContact CG2-OE1 3.2Å; S152-E277 WeakPolarHBondContact CB-O 3.22Å; S152-E277 PolarHBondContact OG-O 2.76Å; C273-E277 PolarHBondContact O-N 3.04Å; I274-E277 WeakPolarHBondContact O-CA 3.41Å; I274-E277 PolarHBondContact O-N 2.96Å; E275-E277 PolarHBondContact O-N 3.08Å; E277-P279 VanDerWaalsContact C-CD 3.4Å; E277-P279 WeakPolarHBondContact O-CD 3.24Å
278	Y	82.2	Confident	81.2	Confident	28 Å²	28	42.4 Å²	42.4	11%	0.11	20%	0.204	C	C	.	.			trans	-114.9	72.1	171.9	-68.4	-74.8	0	0	0	111.2	S152 K155 V156 V174 K177 C273 I276	S152-Y278 WeakPolarHBondContact O-CD1 3.49Å; K155-Y278 HydrophobicContact CD-CE1 4.2Å; V156-Y278 HydrophobicContact CG2-CD1 4.34Å; V156-Y278 HydrophobicContact CG2-CG 4.48Å; V174-Y278 HydrophobicContact CB-CE1 4.28Å; V174-Y278 HydrophobicContact CG1-CD1 3.47Å; V174-Y278 VanDerWaalsContact CG1-CD1 3.47Å; V174-Y278 HydrophobicContact CG1-CD2 4.11Å; V174-Y278 HydrophobicContact CG1-CE1 3.58Å; V174-Y278 HydrophobicContact CG1-CE2 4.21Å; V174-Y278 HydrophobicContact CG1-CG 3.75Å; V174-Y278 HydrophobicContact CG2-CD1 4.35Å; V174-Y278 HydrophobicContact CG2-CE1 3.67Å; K177-Y278 HydrophobicContact CD-CE2 3.94Å; C273-Y278 VanDerWaalsContact CB-O 3.27Å; C273-Y278 WeakPolarHBondContact CB-O 3.39Å; C273-Y278 CarbonylContact O-C 3.54Å; C273-Y278 PolarHBondContact O-N 3.08Å; I276-Y278 VanDerWaalsContact C-N 3.3Å; I276-Y278 HydrophobicContact CG2-CD2 4.09Å; I276-Y278 PolarHBondContact O-N 2.92Å
279	P	79.5	Confident	81.1	Confident	15 Å²	15	40.2 Å²	40.2	10%	0.097	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-62.5	142.5	-179.3	28.6	-36.9	0	0	0	111.7	Y114 Y153 I274 E277	Y114-P279 HydrophobicContact CD2-CG 4.48Å; Y114-P279 HydrophobicContact CE2-CG 4.49Å; Y153-P279 HydrophobicContact CD2-CB 4.48Å; Y153-P279 HydrophobicContact CD2-CG 3.24Å; Y153-P279 HydrophobicContact CE2-CB 4.22Å; Y153-P279 HydrophobicContact CE2-CG 3.39Å; Y153-P279 HydrophobicContact CG-CG 4.49Å; I274-P279 HydrophobicContact CG1-CB 3.96Å; E277-P279 VanDerWaalsContact C-CD 3.4Å; E277-P279 WeakPolarHBondContact O-CD 3.24Å
280	L	80.3	Confident	80.7	Confident	23 Å²	23	46.6 Å²	46.6	12%	0.12	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-80.7	124.4	-178	-66.1	178.2	0	0	0	111.5	V156 L158 V167 L269 Q270 C273	V156-L280 HydrophobicContact CB-CD2 4.19Å; V156-L280 HydrophobicContact CG1-CD2 3.39Å; L158-L280 HydrophobicContact CB-CB 4.09Å; L158-L280 HydrophobicContact CB-CD1 4.45Å; L158-L280 HydrophobicContact CD1-CD1 4.45Å; V167-L280 HydrophobicContact CG1-CD2 4.02Å; V167-L280 HydrophobicContact CG2-CD2 4.29Å; L269-L280 HydrophobicContact CD2-CD1 3.92Å; L269-L280 HydrophobicContact CG-CD1 3.95Å; Q270-L280 HydrophobicContact CG-CD1 3.96Å; C273-L280 HydrophobicContact CB-CD1 4.45Å; C273-L280 HydrophobicContact CB-CG 3.97Å
281	L	77.4	Confident	80.6	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.079	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-88.4	120.1	174.4	-73.5	178	0	0	0	112.2	S118 Y153 V156 K157 L158 E283	S118-L281 VanDerWaalsContact OG-CD2 3.23Å; S118-L281 WeakPolarHBondContact OG-CD2 3.15Å; Y153-L281 HydrophobicContact CE1-CD1 4.13Å; Y153-L281 HydrophobicContact CE1-CD2 3.84Å; Y153-L281 HydrophobicContact CE1-CG 4.36Å; Y153-L281 HydrophobicContact CE2-CD2 4.22Å; Y153-L281 VanDerWaalsContact CZ-CD2 3.44Å; Y153-L281 WeakPolarHBondContact OH-CD2 3.12Å; V156-L281 PolarHBondContact O-N 2.81Å; V156-L281 VanDerWaalsContact O-N 3.14Å; K157-L281 WeakPolarHBondContact CA-O 3.45Å; K157-L281 HydrophobicContact CG-CB 4.43Å; L158-L281 PolarHBondContact N-O 3.11Å; L281-E283 PolarHBondContact O-N 2.95Å
282	A	78.5	Confident	80.7	Confident	28 Å²	28	48.9 Å²	48.9	23%	0.231	24%	0.241	C	C	.	.			trans	-93.9	93	171.5	0	0	0	0	0	110.5	S324	A282-S324 PolarHBondContact O-N 3.12Å; A282-S324 PolarHBondContact O-OG 2.92Å
283	E	79	Confident	80.7	Confident	35 Å²	35	47.8 Å²	47.8	16%	0.164	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.2	171	-59.4	-169.5	144.8	0	0	110.1	K157 L281 R321 R323	K157-E283 IonicContact NZ-OE2 3.94Å; K157-E283 PolarHBondContact NZ-OE2 2.91Å; L281-E283 PolarHBondContact O-N 2.95Å; E283-R321 IonicContact OE2-NH1 3.72Å; E283-R321 PolarHBondContact OE2-NH1 3.06Å; E283-R323 HydrophobicContact CG-CG 4.38Å; E283-R323 IonicContact OE1-NE 3.45Å; E283-R323 PolarHBondContact OE1-NE 2.89Å
284	Y	83.4	Confident	80.9	Confident	9 Å²	9	51.4 Å²	51.4	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.9	177.5	-179.2	-139.4	0	0	0	111.1	F286 D289 A322 V346 K348 H456 C457	Y284-F286 VanDerWaalsContact C-N 3.34Å; Y284-F286 HydrophobicContact CD1-CB 3.7Å; Y284-F286 HydrophobicContact CE1-CB 3.44Å; Y284-F286 VanDerWaalsContact CE1-CB 3.44Å; Y284-F286 HydrophobicContact CG-CB 4.44Å; Y284-F286 PolarHBondContact O-N 2.73Å; Y284-D289 HydrophobicContact CE2-CB 4.17Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.4Å; Y284-D289 PolarHBondContact OH-OD2 3.1Å; Y284-A322 PolarHBondContact N-O 2.88Å; Y284-A322 PolarHBondContact O-N 3.21Å; Y284-V346 HydrophobicContact CD1-CG1 4.33Å; Y284-V346 HydrophobicContact CE1-CG1 3.97Å; Y284-K348 HydrophobicContact CE1-CG 4.21Å; Y284-H456 HydrophobicContact CD1-CB 3.76Å; Y284-H456 HydrophobicContact CD2-CB 3.36Å; Y284-H456 AromaticContact CD2-CG 3.55Å; Y284-H456 AromaticContact CD2-ND1 3.64Å; Y284-H456 HydrophobicContact CE1-CB 4.12Å; Y284-H456 HydrophobicContact CE2-CB 3.77Å; Y284-H456 AromaticContact CE2-CD2 3.92Å; Y284-H456 AromaticContact CE2-CG 3.49Å; Y284-H456 VanDerWaalsContact CE2-CG 3.49Å; Y284-H456 AromaticContact CE2-ND1 3.56Å; Y284-H456 HydrophobicContact CG-CB 3.37Å; Y284-H456 AromaticContact CZ-CG 3.95Å; Y284-C457 HydrophobicContact CD1-CB 4.34Å
285	D	83.2	Confident	81.2	Confident	46 Å²	46	50.6 Å²	50.6	25%	0.246	26%	0.259	C	S	.	.			trans	-86.7	76.8	172	-167.9	-12.1	0	0	0	110.2	R287 N288 D289 R321	D285-R287 PolarHBondContact O-N 3.22Å; D285-R287 PolarHBondContact OD1-N 3.47Å; D285-N288 PolarHBondContact OD1-N 3Å; D285-N288 PolarHBondContact OD1-ND2 2.55Å; D285-N288 PolarHBondContact OD2-ND2 2.72Å; D285-D289 WeakPolarHBondContact O-CB 3.13Å; D285-D289 PolarHBondContact O-N 2.81Å; D285-R321 HydrophobicContact CB-CG 4.41Å
286	F	82.5	Confident	81.5	Confident	15 Å²	15	52.6 Å²	52.6	7%	0.066	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.9	-177.2	64	-87.3	0	0	0	113.6	Y284 F317 A322 T345 V346 K348	Y284-F286 VanDerWaalsContact C-N 3.34Å; Y284-F286 HydrophobicContact CD1-CB 3.7Å; Y284-F286 HydrophobicContact CE1-CB 3.44Å; Y284-F286 VanDerWaalsContact CE1-CB 3.44Å; Y284-F286 HydrophobicContact CG-CB 4.44Å; Y284-F286 PolarHBondContact O-N 2.73Å; F286-F317 AromaticContact CE1-CD1 3.83Å; F286-F317 HydrophobicContact CE1-CD1 3.83Å; F286-F317 AromaticContact CE1-CE1 3.99Å; F286-F317 HydrophobicContact CE1-CE1 3.99Å; F286-F317 HydrophobicContact CZ-CD1 4.09Å; F286-F317 HydrophobicContact CZ-CE1 4.24Å; F286-A322 HydrophobicContact CD1-CB 3.71Å; F286-A322 HydrophobicContact CE1-CB 3.93Å; F286-T345 HydrophobicContact CE2-CG2 4.46Å; F286-T345 WeakPolarHBondContact CE2-O 3.31Å; F286-T345 HydrophobicContact CZ-CG2 4.22Å; F286-V346 HydrophobicContact CB-CG1 4Å; F286-V346 HydrophobicContact CG-CG1 4.38Å; F286-K348 WeakPolarHBondContact O-CE 3.4Å
287	R	81.7	Confident	81.7	Confident	161 Å²	161	51.6 Å²	51.6	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-41.4	-179.5	-69.7	-172.6	176.3	177.4	-1.3	111.8	D285 S320	D285-R287 PolarHBondContact O-N 3.22Å; D285-R287 PolarHBondContact OD1-N 3.47Å; R287-S320 PolarHBondContact NH1-OG 3.38Å; R287-S320 VanDerWaalsContact NH1-OG 3.14Å
288	N	80.5	Confident	82.4	Confident	122 Å²	122	54 Å²	54	65%	0.652	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-10.1	179.8	-64.7	-31.3	0	0	0	113.1	D285 T290	D285-N288 PolarHBondContact OD1-N 3Å; D285-N288 PolarHBondContact OD1-ND2 2.55Å; D285-N288 PolarHBondContact OD2-ND2 2.72Å; N288-T290 PolarHBondContact O-N 2.69Å; N288-T290 VanDerWaalsContact O-N 3.11Å
289	D	81.6	Confident	82.8	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.123	29%	0.289	C	S	.	.			trans	-71.6	102.3	174.6	-176.1	-1.8	0	0	0	111.3	Y284 D285 Q291 N292 K348	Y284-D289 HydrophobicContact CE2-CB 4.17Å; Y284-D289 WeakPolarHBondContact CE2-OD2 3.4Å; Y284-D289 PolarHBondContact OH-OD2 3.1Å; D285-D289 WeakPolarHBondContact O-CB 3.13Å; D285-D289 PolarHBondContact O-N 2.81Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.2Å; D289-Q291 PolarHBondContact OD1-N 3.37Å; D289-N292 PolarHBondContact OD1-N 2.88Å; D289-N292 VanDerWaalsContact OD1-N 3.08Å; D289-N292 WeakPolarHBondContact OD2-CB 3.39Å; D289-N292 PolarHBondContact OD2-ND2 2.9Å; D289-K348 PolarHBondContact O-NZ 2.92Å
290	T	78.1	Confident	83.4	Confident	135 Å²	135	58 Å²	58	83%	0.828	30%	0.3	S	S	*	.			trans	-93.1	-9.5	173.7	53.9	0	0	0	0	113.3	N288	N288-T290 PolarHBondContact O-N 2.69Å; N288-T290 VanDerWaalsContact O-N 3.11Å
291	Q	78.8	Confident	83.7	Confident	111 Å²	111	63 Å²	63	52%	0.519	34%	0.336	S	S	.	.	S	Bend	trans	-76.3	-43.9	-178.7	-63.5	-168	-14.5	0	0	110.8	E162 D289	E162-Q291 PolarHBondContact OE1-NE2 3.32Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.2Å; D289-Q291 PolarHBondContact OD1-N 3.37Å
292	N	82.2	Confident	84.3	Confident	16 Å²	16	66.9 Å²	66.9	9%	0.086	36%	0.357	C	S	.	.	S	Bend	trans	-82.1	128.8	-179.7	-77.1	-56	0	0	0	111.9	D289 K348 E429 H456	D289-N292 PolarHBondContact OD1-N 2.88Å; D289-N292 VanDerWaalsContact OD1-N 3.08Å; D289-N292 WeakPolarHBondContact OD2-CB 3.39Å; D289-N292 PolarHBondContact OD2-ND2 2.9Å; N292-K348 HydrophobicContact CB-CD 4.05Å; N292-K348 PolarHBondContact O-NZ 3.07Å; N292-E429 PolarHBondContact ND2-OE2 3.3Å; N292-H456 PolarHBondContact ND2-NE2 3Å
293	P	85.4	Confident	84.8	Confident	48 Å²	48	66 Å²	66	31%	0.312	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.3	142.4	-178.2	27.3	-34.1	0	0	0	112.1	P398	P293-P398 HydrophobicContact CB-CG 4.38Å; P293-P398 HydrophobicContact CG-CB 4.35Å
294	N	88	Confident	85.3	Confident	78 Å²	78	71.2 Å²	71.2	42%	0.417	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-78.9	140.3	177.9	-68.9	-15.5	0	0	0	111.9	D296 N347 K348 P398	N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 3.3Å; N294-N347 CarbonylContact C-O 3.52Å; N294-N347 WeakPolarHBondContact CA-O 3.3Å; N294-K348 WeakPolarHBondContact OD1-CD 3.29Å; N294-K348 WeakPolarHBondContact OD1-CE 3.37Å; N294-K348 PolarHBondContact OD1-NZ 3.09Å; N294-P398 WeakPolarHBondContact O-CG 3.47Å
295	L	83.6	Confident	85.7	Confident	2 Å²	2	73 Å²	73	1%	0.01	39%	0.388	C	S	.	.			trans	-70.1	-23.2	179.8	-85.3	170	0	0	0	113.7	I297 N347 K348 K377 P398 I400	L295-I297 HydrophobicContact CB-CB 4.4Å; L295-I297 HydrophobicContact CB-CD1 3.78Å; L295-I297 HydrophobicContact CB-CG1 3.94Å; L295-I297 HydrophobicContact CD1-CD1 4.05Å; L295-I297 HydrophobicContact CD2-CD1 4.02Å; L295-I297 HydrophobicContact CG-CD1 4.19Å; L295-N347 WeakPolarHBondContact CB-OD1 3.49Å; L295-N347 PolarHBondContact N-O 3Å; L295-N347 PolarHBondContact N-OD1 3.18Å; L295-K348 VanDerWaalsContact CD1-C 3.47Å; L295-K348 WeakPolarHBondContact CD1-O 3.01Å; L295-K377 PolarHBondContact O-NZ 2.84Å; L295-P398 HydrophobicContact CD2-CB 3.54Å; L295-P398 HydrophobicContact CD2-CG 4.06Å; L295-P398 VanDerWaalsContact CD2-O 3.24Å; L295-P398 WeakPolarHBondContact CD2-O 3.3Å; L295-P398 HydrophobicContact CG-CB 3.92Å; L295-P398 HydrophobicContact CG-CG 4.44Å; L295-I400 HydrophobicContact CD1-CD1 4.5Å; L295-I400 HydrophobicContact CD1-CG1 3.96Å; L295-I400 HydrophobicContact CD2-CG1 4.37Å
296	D	86.1	Confident	86.1	Confident	115 Å²	115	74.9 Å²	74.9	62%	0.615	39%	0.391	S	S	*	.			trans	49.9	56.5	-168.9	-57.2	-31	0	0	0	110.7	N294 N347 K377	N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 3.3Å; D296-N347 PolarHBondContact N-OD1 2.9Å; D296-K377 PolarHBondContact O-NZ 2.6Å
297	I	86.3	Confident	86.5	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.01	41%	0.414	C	S	.	.			trans	-123.3	127.5	177.6	-62.9	169.9	0	0	0	108.6	L295 N347 A373 K377 I400	L295-I297 HydrophobicContact CB-CB 4.4Å; L295-I297 HydrophobicContact CB-CD1 3.78Å; L295-I297 HydrophobicContact CB-CG1 3.94Å; L295-I297 HydrophobicContact CD1-CD1 4.05Å; L295-I297 HydrophobicContact CD2-CD1 4.02Å; L295-I297 HydrophobicContact CG-CD1 4.19Å; I297-N347 PolarHBondContact N-OD1 2.95Å; I297-A373 HydrophobicContact CD1-CB 3.8Å; I297-A373 HydrophobicContact CG1-CB 4.15Å; I297-A373 HydrophobicContact CG2-CB 4.16Å; I297-K377 HydrophobicContact CD1-CD 4.41Å; I297-K377 HydrophobicContact CG1-CD 4.42Å; I297-I400 HydrophobicContact CD1-CD1 3.52Å; I297-I400 HydrophobicContact CD1-CG1 4.17Å
298	D	91	Very high	86.9	Confident	108 Å²	108	71.1 Å²	71.1	58%	0.578	39%	0.387	S	S	*	.			trans	-113.1	159.2	176.1	-67.6	-49.3	0	0	0	110.5	S371 T372	D298-S371 WeakPolarHBondContact O-CA 3.39Å; D298-T372 HydrophobicContact CB-CG2 4.42Å; D298-T372 PolarHBondContact N-OG1 2.93Å; D298-T372 PolarHBondContact O-N 2.91Å; D298-T372 PolarHBondContact O-OG1 3.28Å
299	L	91.7	Very high	87.5	Confident	54 Å²	54	65.5 Å²	65.5	28%	0.283	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-74.8	134.3	168.7	-165.1	74.2	0	0	0	109.1	A303 V340 W370	L299-A303 HydrophobicContact CD1-CB 3.84Å; L299-A303 HydrophobicContact CD2-CB 3.74Å; L299-A303 HydrophobicContact CG-CB 3.57Å; L299-V340 HydrophobicContact CD1-CG1 4.38Å; L299-W370 HydrophobicContact CD1-CB 4.42Å
300	K	91.8	Very high	88	Confident	72 Å²	72	68.3 Å²	68.3	31%	0.313	37%	0.369	S	S	.	.			trans	-65.6	147.1	175.7	-74	167.3	164.8	165.5	0	110.7	N302 A303 K368 M369 W370 S371 T372	K300-N302 WeakPolarHBondContact CB-OD1 3.41Å; K300-N302 PolarHBondContact O-N 3.39Å; K300-N302 VanDerWaalsContact O-N 3.12Å; K300-A303 WeakPolarHBondContact O-CB 3.28Å; K300-A303 PolarHBondContact O-N 3.14Å; K300-K368 PolarHBondContact NZ-O 2.91Å; K300-M369 WeakPolarHBondContact CD-O 3.49Å; K300-M369 PolarHBondContact NZ-O 2.97Å; K300-W370 WeakPolarHBondContact CB-O 3.29Å; K300-W370 PolarHBondContact N-O 3.05Å; K300-S371 WeakPolarHBondContact CD-O 3.09Å; K300-S371 WeakPolarHBondContact CE-O 3.39Å; K300-S371 PolarHBondContact NZ-O 3.46Å; K300-T372 HydrophobicContact CG-CG2 3.99Å
301	S	87.2	Confident	88.5	Confident	127 Å²	127	65.1 Å²	65.1	89%	0.888	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.2	-177.3	55.5	0	0	0	0	114.8	A303	S301-A303 VanDerWaalsContact C-N 3.3Å
302	N	90	Very high	89.1	Confident	98 Å²	98	59.9 Å²	59.9	52%	0.524	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8	175.9	67.3	-21	0	0	0	113.7	K300 I304	K300-N302 WeakPolarHBondContact CB-OD1 3.41Å; K300-N302 PolarHBondContact O-N 3.39Å; K300-N302 VanDerWaalsContact O-N 3.12Å; N302-I304 PolarHBondContact O-N 2.97Å; N302-I304 VanDerWaalsContact O-N 3.11Å
303	A	88.2	Confident	89.5	Confident	9 Å²	9	59.7 Å²	59.7	7%	0.074	32%	0.319	C	S	.	.			trans	-84.9	76.6	-179	0	0	0	0	0	110.9	L299 K300 S301 L305 W370	L299-A303 HydrophobicContact CD1-CB 3.84Å; L299-A303 HydrophobicContact CD2-CB 3.74Å; L299-A303 HydrophobicContact CG-CB 3.57Å; K300-A303 WeakPolarHBondContact O-CB 3.28Å; K300-A303 PolarHBondContact O-N 3.14Å; S301-A303 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 3.14Å; A303-W370 HydrophobicContact CB-CD2 4.39Å; A303-W370 HydrophobicContact CB-CE3 3.49Å; A303-W370 VanDerWaalsContact CB-CE3 3.49Å; A303-W370 HydrophobicContact CB-CZ3 4.08Å
304	I	90.7	Very high	89.7	Confident	145 Å²	145	65.4 Å²	65.4	74%	0.744	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-81	122.6	177.6	-56.5	171.8	0	0	0	109.1	N302	N302-I304 PolarHBondContact O-N 2.97Å; N302-I304 VanDerWaalsContact O-N 3.11Å
305	L	91.5	Very high	89.5	Confident	47 Å²	47	63.3 Å²	63.3	25%	0.246	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78	145.5	176.3	-61	174.4	0	0	0	111	A303 L313 L337 T341	A303-L305 PolarHBondContact O-N 3.14Å; L305-L313 HydrophobicContact CD1-CD1 3.98Å; L305-L337 HydrophobicContact CD2-CD1 4.43Å; L305-L337 HydrophobicContact CD2-CD2 3.85Å; L305-L337 HydrophobicContact CD2-CG 3.81Å; L305-T341 HydrophobicContact CD1-CG2 3.94Å
306	R	91.4	Very high	89.7	Confident	85 Å²	85	63.2 Å²	63.2	32%	0.321	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-82.1	154.7	172.4	-62.3	169.2	-178.7	-176.1	0.1	110.1	Y308 Q309 E310 Y496	R306-Y308 VanDerWaalsContact C-N 3.31Å; R306-Y308 HydrophobicContact CB-CD1 3.89Å; R306-Y308 HydrophobicContact CB-CE1 3.47Å; R306-Y308 VanDerWaalsContact CB-CE1 3.47Å; R306-Y308 WeakPolarHBondContact CD-OH 3.45Å; R306-Y308 HydrophobicContact CG-CE1 4.14Å; R306-Y308 PolarHBondContact NH1-OH 2.83Å; R306-Y308 PolarHBondContact O-N 3.24Å; R306-Q309 HydrophobicContact CB-CG 4.19Å; R306-Q309 WeakPolarHBondContact O-CA 3.33Å; R306-Q309 WeakPolarHBondContact O-CB 3.45Å; R306-Q309 PolarHBondContact O-N 3.38Å; R306-E310 PolarHBondContact O-N 2.83Å; R306-Y496 HydrophobicContact CB-CE1 4.44Å; R306-Y496 HydrophobicContact CG-CD1 4.4Å; R306-Y496 HydrophobicContact CG-CE1 3.91Å
307	P	91	Very high	89.7	Confident	83 Å²	83	59.5 Å²	59.5	54%	0.539	30%	0.299	S	S	.	.	H	α-helix	trans	-55	-40.9	-174.4	-28.2	35.5	0	0	0	114.5	Q309 E310 K311 Y496	P307-Q309 VanDerWaalsContact C-N 3.33Å; P307-Q309 PolarHBondContact O-N 2.8Å; P307-E310 PolarHBondContact O-N 3.2Å; P307-K311 WeakPolarHBondContact O-CB 3.39Å; P307-K311 PolarHBondContact O-N 3.22Å; P307-Y496 WeakPolarHBondContact CD-OH 3.36Å
308	Y	90	Very high	89.3	Confident	14 Å²	14	60 Å²	60	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-29.5	178	64.1	-93.4	0	0	0	113.2	R306 S312 L329 A333 L491 Y496	R306-Y308 VanDerWaalsContact C-N 3.31Å; R306-Y308 HydrophobicContact CB-CD1 3.89Å; R306-Y308 HydrophobicContact CB-CE1 3.47Å; R306-Y308 VanDerWaalsContact CB-CE1 3.47Å; R306-Y308 WeakPolarHBondContact CD-OH 3.45Å; R306-Y308 HydrophobicContact CG-CE1 4.14Å; R306-Y308 PolarHBondContact NH1-OH 2.83Å; R306-Y308 PolarHBondContact O-N 3.24Å; Y308-S312 WeakPolarHBondContact O-CB 3.22Å; Y308-S312 PolarHBondContact O-N 3.24Å; Y308-L329 HydrophobicContact CD2-CD2 3.94Å; Y308-L329 HydrophobicContact CE2-CD2 4.25Å; Y308-A333 HydrophobicContact CE2-CB 3.95Å; Y308-A333 VanDerWaalsContact CE2-O 3.3Å; Y308-A333 WeakPolarHBondContact CE2-O 3.22Å; Y308-A333 WeakPolarHBondContact OH-CA 2.72Å; Y308-A333 PolarHBondContact OH-O 2.95Å; Y308-L491 HydrophobicContact CD1-CD2 3.28Å; Y308-L491 HydrophobicContact CD2-CD2 4.16Å; Y308-L491 HydrophobicContact CE1-CD2 3.3Å; Y308-L491 HydrophobicContact CE2-CD2 4.2Å; Y308-L491 HydrophobicContact CG-CD2 3.72Å; Y308-Y496 HydrophobicContact CD1-CD2 4.18Å; Y308-Y496 HydrophobicContact CD1-CE2 4.15Å; Y308-Y496 HydrophobicContact CE1-CD1 4.48Å; Y308-Y496 AromaticContact CE1-CD2 3.71Å; Y308-Y496 HydrophobicContact CE1-CD2 3.71Å; Y308-Y496 AromaticContact CE1-CE2 3.95Å; Y308-Y496 HydrophobicContact CE1-CE2 3.95Å; Y308-Y496 AromaticContact CE1-CG 4Å; Y308-Y496 HydrophobicContact CE1-CG 4Å
309	Q	93	Very high	88.3	Confident	3 Å²	3	61 Å²	61	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-70.2	-43.8	175.1	-62.6	174.3	-27.3	0	0	109.6	R306 P307 S312 L313 A333 V338	R306-Q309 HydrophobicContact CB-CG 4.19Å; R306-Q309 WeakPolarHBondContact O-CA 3.33Å; R306-Q309 WeakPolarHBondContact O-CB 3.45Å; R306-Q309 PolarHBondContact O-N 3.38Å; P307-Q309 VanDerWaalsContact C-N 3.33Å; P307-Q309 PolarHBondContact O-N 2.8Å; Q309-S312 PolarHBondContact O-N 2.98Å; Q309-S312 PolarHBondContact O-OG 2.94Å; Q309-L313 WeakPolarHBondContact O-CG 3.29Å; Q309-L313 PolarHBondContact O-N 2.8Å; Q309-A333 PolarHBondContact NE2-O 3.03Å; Q309-V338 HydrophobicContact CB-CG2 3.82Å; Q309-V338 HydrophobicContact CG-CG2 3.84Å
310	E	92.2	Very high	87.5	Confident	82 Å²	82	61.5 Å²	61.5	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-46.8	174.6	-169.2	-177.3	176.5	0	0	111.5	R306 P307 S312 L313 R314	R306-E310 PolarHBondContact O-N 2.83Å; P307-E310 PolarHBondContact O-N 3.2Å; E310-S312 VanDerWaalsContact C-N 3.26Å; E310-S312 PolarHBondContact O-N 3.36Å; E310-L313 PolarHBondContact O-N 2.88Å; E310-L313 VanDerWaalsContact O-N 3.13Å; E310-R314 HydrophobicContact CG-CG 4.45Å; E310-R314 WeakPolarHBondContact O-CG 3.35Å; E310-R314 PolarHBondContact O-N 3.26Å; E310-R314 IonicContact OE1-CZ 3.03Å; E310-R314 VanDerWaalsContact OE1-CZ 3.32Å; E310-R314 IonicContact OE1-NE 3.88Å; E310-R314 PolarHBondContact OE1-NE 3.48Å; E310-R314 IonicContact OE1-NH2 2.68Å; E310-R314 PolarHBondContact OE1-NH2 3.4Å; E310-R314 IonicContact OE2-NH2 3.38Å
311	K	88.2	Confident	87	Confident	69 Å²	69	62.2 Å²	62.2	30%	0.3	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-39.5	175.1	-170.1	168.2	179.9	169.7	0	111.9	D88 P307 K315 Y484	D88-K311 IonicContact OD1-NZ 3.99Å; D88-K311 PolarHBondContact OD1-NZ 2.76Å; D88-K311 IonicContact OD2-NZ 2.92Å; D88-K311 PolarHBondContact OD2-NZ 3.33Å; P307-K311 WeakPolarHBondContact O-CB 3.39Å; P307-K311 PolarHBondContact O-N 3.22Å; K311-K315 PolarHBondContact O-N 3.06Å; K311-Y484 HydrophobicContact CB-CE2 4.49Å; K311-Y484 HydrophobicContact CD-CE2 4.12Å; K311-Y484 HydrophobicContact CG-CE2 4.05Å
312	S	90.6	Very high	87.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-40.9	176.8	79	0	0	0	0	112.8	Y308 Q309 E310 K315 M316	Y308-S312 WeakPolarHBondContact O-CB 3.22Å; Y308-S312 PolarHBondContact O-N 3.24Å; Q309-S312 PolarHBondContact O-N 2.98Å; Q309-S312 PolarHBondContact O-OG 2.94Å; E310-S312 VanDerWaalsContact C-N 3.26Å; E310-S312 PolarHBondContact O-N 3.36Å; S312-K315 PolarHBondContact O-N 2.9Å; S312-M316 PolarHBondContact O-N 3.28Å
313	L	91.5	Very high	86.9	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-73.7	-38.3	179	-69.4	167.5	0	0	0	111.9	L305 Q309 E310 K315 M316 F317 V338 T341 A342	L305-L313 HydrophobicContact CD1-CD1 3.98Å; Q309-L313 WeakPolarHBondContact O-CG 3.29Å; Q309-L313 PolarHBondContact O-N 2.8Å; E310-L313 PolarHBondContact O-N 2.88Å; E310-L313 VanDerWaalsContact O-N 3.13Å; L313-K315 PolarHBondContact O-N 2.9Å; L313-M316 WeakPolarHBondContact O-CB 3.44Å; L313-M316 PolarHBondContact O-N 2.92Å; L313-M316 VanDerWaalsContact O-N 3.08Å; L313-F317 HydrophobicContact CB-CD2 4.31Å; L313-F317 HydrophobicContact CD2-CD2 4.46Å; L313-F317 HydrophobicContact CD2-CE2 3.95Å; L313-F317 VanDerWaalsContact O-CD2 3.29Å; L313-F317 WeakPolarHBondContact O-CD2 3.44Å; L313-F317 PolarHBondContact O-N 2.98Å; L313-V338 HydrophobicContact CD2-CG1 3.82Å; L313-V338 HydrophobicContact CG-CG1 4.16Å; L313-T341 HydrophobicContact CD1-CG2 3.47Å; L313-T341 VanDerWaalsContact CD1-CG2 3.47Å; L313-A342 HydrophobicContact CD2-CB 4.07Å
314	R	88.9	Confident	86.9	Confident	168 Å²	168	52.1 Å²	52.1	63%	0.634	25%	0.253	S	S	*	.	H	α-helix	trans	-58.2	-35.4	173.5	-72.7	-179.4	-173.2	-169.8	2.1	112.1	E310 F317	E310-R314 HydrophobicContact CG-CG 4.45Å; E310-R314 WeakPolarHBondContact O-CG 3.35Å; E310-R314 PolarHBondContact O-N 3.26Å; E310-R314 IonicContact OE1-CZ 3.03Å; E310-R314 VanDerWaalsContact OE1-CZ 3.32Å; E310-R314 IonicContact OE1-NE 3.88Å; E310-R314 PolarHBondContact OE1-NE 3.48Å; E310-R314 IonicContact OE1-NH2 2.68Å; E310-R314 PolarHBondContact OE1-NH2 3.4Å; E310-R314 IonicContact OE2-NH2 3.38Å; R314-F317 CarbonylContact O-C 3.58Å
315	K	84.1	Confident	86.8	Confident	34 Å²	34	45.2 Å²	45.2	15%	0.148	22%	0.217	C	C	.	.	H	α-helix	trans	-72.3	-33.2	174.9	-72.6	-165.4	175.6	-161.4	0	113.4	K311 S312 L313 L483 Y484	K311-K315 PolarHBondContact O-N 3.06Å; S312-K315 PolarHBondContact O-N 2.9Å; L313-K315 PolarHBondContact O-N 2.9Å; K315-L483 WeakPolarHBondContact CD-O 3.48Å; K315-Y484 HydrophobicContact CD-CD2 4.3Å
316	M	87.9	Confident	86.7	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.1	-42	174.8	-178.2	-176.5	173.5	0	0	111.7	S312 L313 R323 A342 L432 L459 L483	S312-M316 PolarHBondContact O-N 3.28Å; L313-M316 WeakPolarHBondContact O-CB 3.44Å; L313-M316 PolarHBondContact O-N 2.92Å; L313-M316 VanDerWaalsContact O-N 3.08Å; M316-R323 PolarHBondContact O-N 2.99Å; M316-A342 HydrophobicContact CE-CB 4.2Å; M316-A342 HydrophobicContact SD-CB 4.02Å; M316-L432 HydrophobicContact CE-CD1 3.9Å; M316-L459 HydrophobicContact CE-CB 4.08Å; M316-L459 HydrophobicContact CE-CD1 4.34Å; M316-L459 HydrophobicContact CE-CD2 4.18Å; M316-L459 HydrophobicContact CE-CG 4.42Å; M316-L459 HydrophobicContact SD-CD1 3.84Å; M316-L459 HydrophobicContact SD-CD2 3.99Å; M316-L459 HydrophobicContact SD-CG 4.36Å; M316-L483 HydrophobicContact CB-CD1 3.98Å; M316-L483 HydrophobicContact CG-CD1 4.13Å
317	F	87.1	Confident	86.7	Confident	37 Å²	37	38.9 Å²	38.9	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	78.1	179.5	-60.6	-68.1	0	0	0	110.1	F286 L313 R314 R321 A322 A342 T345 V346	F286-F317 AromaticContact CE1-CD1 3.83Å; F286-F317 HydrophobicContact CE1-CD1 3.83Å; F286-F317 AromaticContact CE1-CE1 3.99Å; F286-F317 HydrophobicContact CE1-CE1 3.99Å; F286-F317 HydrophobicContact CZ-CD1 4.09Å; F286-F317 HydrophobicContact CZ-CE1 4.24Å; L313-F317 HydrophobicContact CB-CD2 4.31Å; L313-F317 HydrophobicContact CD2-CD2 4.46Å; L313-F317 HydrophobicContact CD2-CE2 3.95Å; L313-F317 VanDerWaalsContact O-CD2 3.29Å; L313-F317 WeakPolarHBondContact O-CD2 3.44Å; L313-F317 PolarHBondContact O-N 2.98Å; R314-F317 CarbonylContact O-C 3.58Å; F317-R321 WeakPolarHBondContact CA-O 3.4Å; F317-A322 HydrophobicContact CD1-CB 3.99Å; F317-A322 HydrophobicContact CE1-CB 3.76Å; F317-A342 HydrophobicContact CE2-CB 4.27Å; F317-A342 HydrophobicContact CZ-CB 4.15Å; F317-T345 HydrophobicContact CD1-CG2 4.15Å; F317-T345 HydrophobicContact CD2-CG2 4.14Å; F317-T345 HydrophobicContact CE1-CG2 3.91Å; F317-T345 HydrophobicContact CE2-CG2 3.9Å; F317-T345 HydrophobicContact CG-CG2 4.26Å; F317-T345 HydrophobicContact CZ-CG2 3.79Å; F317-V346 HydrophobicContact CE1-CG2 3.72Å; F317-V346 HydrophobicContact CZ-CG2 3.94Å
318	G	76.4	Confident	86.7	Confident	11 Å²	11	35.3 Å²	35.3	11%	0.113	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.1	172.3	0	0	0	0	0	111	S320 R321	G318-S320 PolarHBondContact O-N 3.02Å; G318-S320 VanDerWaalsContact O-N 3.14Å; G318-R321 PolarHBondContact N-O 2.97Å; G318-R321 PolarHBondContact O-N 2.89Å; G318-R321 VanDerWaalsContact O-O 3.13Å
319	N	71.4	Confident	86.6	Confident	129 Å²	129	34.6 Å²	34.6	69%	0.69	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	38.5	173	-55.5	-1.2	0	0	0	113.7	R321	N319-R321 PolarHBondContact O-N 3.13Å
320	S	73.9	Confident	86.2	Confident	65 Å²	65	34.6 Å²	34.6	46%	0.455	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	10.8	-176.7	-59	0	0	0	0	116.4	R287 G318	R287-S320 PolarHBondContact NH1-OG 3.38Å; R287-S320 VanDerWaalsContact NH1-OG 3.14Å; G318-S320 PolarHBondContact O-N 3.02Å; G318-S320 VanDerWaalsContact O-N 3.14Å
321	R	82.6	Confident	85.5	Confident	88 Å²	88	31 Å²	31	33%	0.332	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.7	178.4	-62.1	175.8	-173.9	-161	-4	111	E283 D285 F317 G318 N319	E283-R321 IonicContact OE2-NH1 3.72Å; E283-R321 PolarHBondContact OE2-NH1 3.06Å; D285-R321 HydrophobicContact CB-CG 4.41Å; F317-R321 WeakPolarHBondContact CA-O 3.4Å; G318-R321 PolarHBondContact N-O 2.97Å; G318-R321 PolarHBondContact O-N 2.89Å; G318-R321 VanDerWaalsContact O-O 3.13Å; N319-R321 PolarHBondContact O-N 3.13Å
322	A	87.6	Confident	85	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.1	172.9	0	0	0	0	0	109.7	Y284 F286 F317 V346 C457	Y284-A322 PolarHBondContact N-O 2.88Å; Y284-A322 PolarHBondContact O-N 3.21Å; F286-A322 HydrophobicContact CD1-CB 3.71Å; F286-A322 HydrophobicContact CE1-CB 3.93Å; F317-A322 HydrophobicContact CD1-CB 3.99Å; F317-A322 HydrophobicContact CE1-CB 3.76Å; A322-V346 HydrophobicContact CB-CG2 4.28Å; A322-C457 HydrophobicContact CB-CB 4.49Å
323	R	86	Confident	84.6	Confident	13 Å²	13	29.5 Å²	29.5	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.8	176.2	-60.5	-174.3	-175.8	134	-0.9	110.8	S118 E283 M316	S118-R323 PolarHBondContact O-NE 3.46Å; S118-R323 PolarHBondContact O-NH1 3Å; S118-R323 PolarHBondContact O-NH2 2.9Å; E283-R323 HydrophobicContact CG-CG 4.38Å; E283-R323 IonicContact OE1-NE 3.45Å; E283-R323 PolarHBondContact OE1-NE 2.89Å; M316-R323 PolarHBondContact O-N 2.99Å
324	S	88.5	Confident	84.3	Confident	8 Å²	8	30.1 Å²	30.1	6%	0.056	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-73.2	139.5	169.9	-58.8	0	0	0	0	110.4	A282 C457 K458 I479	A282-S324 PolarHBondContact O-N 3.12Å; A282-S324 PolarHBondContact O-OG 2.92Å; S324-C457 WeakPolarHBondContact OG-CA 3.34Å; S324-K458 CarbonylContact C-O 3.58Å; S324-K458 VanDerWaalsContact CA-O 3.24Å; S324-K458 WeakPolarHBondContact CA-O 3.49Å; S324-K458 WeakPolarHBondContact CB-O 3.11Å; S324-K458 PolarHBondContact OG-N 3.05Å; S324-I479 VanDerWaalsContact CB-O 3.24Å; S324-I479 WeakPolarHBondContact CB-O 3.49Å
325	G	88.4	Confident	84.2	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-173	179.5	0	0	0	0	0	113.9	K458 G460 P481	G325-K458 PolarHBondContact N-O 3.49Å; G325-G460 PolarHBondContact O-N 3.22Å; G325-P481 CarbonylContact C-O 3.55Å; G325-P481 WeakPolarHBondContact CA-O 3.17Å
326	V	90.5	Very high	84.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.3	-165.8	-177	0	0	0	0	110.5	V328 G460 T462 L465 L475 I479 P481 K482 L483	V326-V328 HydrophobicContact CG1-CG2 4.42Å; V326-G460 CarbonylContact C-O 3.57Å; V326-G460 WeakPolarHBondContact CA-O 2.92Å; V326-T462 HydrophobicContact CG1-CG2 4.09Å; V326-L465 HydrophobicContact CG1-CD2 4.16Å; V326-L475 HydrophobicContact CB-CD2 4.28Å; V326-L475 HydrophobicContact CG1-CD2 4.31Å; V326-L475 HydrophobicContact CG2-CD2 3.34Å; V326-I479 HydrophobicContact CG2-CB 4.34Å; V326-I479 HydrophobicContact CG2-CG2 3.96Å; V326-P481 PolarHBondContact N-O 3.04Å; V326-K482 CarbonylContact O-C 3.5Å; V326-K482 WeakPolarHBondContact O-CA 2.82Å; V326-L483 PolarHBondContact O-N 2.8Å
327	I	92	Very high	84.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.5	176.2	-64.3	179.2	0	0	0	108.5	L329 V338 L459 G460 L461 T462 L483	I327-L329 HydrophobicContact CG2-CD1 3.8Å; I327-L329 HydrophobicContact CG2-CD2 4.46Å; I327-L329 HydrophobicContact CG2-CG 3.73Å; I327-V338 HydrophobicContact CD1-CG1 4.06Å; I327-L459 HydrophobicContact CB-CD1 4.5Å; I327-L459 HydrophobicContact CD1-CD1 3.77Å; I327-L459 HydrophobicContact CG1-CD1 3.98Å; I327-G460 PolarHBondContact N-O 2.86Å; I327-L461 HydrophobicContact CB-CD2 4.08Å; I327-L461 HydrophobicContact CG2-CD2 4.4Å; I327-T462 PolarHBondContact O-N 3.04Å; I327-L483 HydrophobicContact CG1-CB 4.26Å; I327-L483 HydrophobicContact CG1-CD1 4.41Å
328	V	89.4	Confident	85.2	Confident	7 Å²	7	22.1 Å²	22.1	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	108.5	-179.9	-171.4	0	0	0	0	109.1	V326 T462 L465 K482 Y484 E485 A486	V326-V328 HydrophobicContact CG1-CG2 4.42Å; V328-T462 CarbonylContact C-O 3.52Å; V328-T462 VanDerWaalsContact CA-O 3.31Å; V328-T462 WeakPolarHBondContact CA-O 3.34Å; V328-T462 HydrophobicContact CB-CG2 4.47Å; V328-T462 HydrophobicContact CG1-CG2 4.37Å; V328-T462 HydrophobicContact CG2-CG2 3.94Å; V328-L465 HydrophobicContact CG2-CD1 3.44Å; V328-L465 VanDerWaalsContact CG2-CD1 3.44Å; V328-L465 HydrophobicContact CG2-CD2 4.35Å; V328-L465 HydrophobicContact CG2-CG 3.64Å; V328-K482 HydrophobicContact CG2-CG 4.37Å; V328-Y484 PolarHBondContact N-O 3.4Å; V328-E485 HydrophobicContact CB-CB 4.03Å; V328-E485 HydrophobicContact CB-CG 4.04Å; V328-E485 HydrophobicContact CG1-CG 4.14Å; V328-E485 WeakPolarHBondContact O-CA 2.98Å; V328-A486 PolarHBondContact O-N 3.22Å; V328-A486 VanDerWaalsContact O-N 3.07Å
329	L	89.5	Confident	86	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.			trans	-128.9	131.3	178.8	-67.5	171.2	0	0	0	110.1	Y308 I327 A333 K335 V338 T462 A463 Y484 A486	Y308-L329 HydrophobicContact CD2-CD2 3.94Å; Y308-L329 HydrophobicContact CE2-CD2 4.25Å; I327-L329 HydrophobicContact CG2-CD1 3.8Å; I327-L329 HydrophobicContact CG2-CD2 4.46Å; I327-L329 HydrophobicContact CG2-CG 3.73Å; L329-A333 HydrophobicContact CB-CB 4.43Å; L329-K335 HydrophobicContact CB-CG 3.68Å; L329-K335 HydrophobicContact CD1-CG 4.45Å; L329-K335 WeakPolarHBondContact O-CD 3.45Å; L329-K335 PolarHBondContact O-NZ 3.44Å; L329-V338 HydrophobicContact CD1-CB 4.28Å; L329-V338 HydrophobicContact CD1-CG2 3.7Å; L329-T462 PolarHBondContact N-O 2.88Å; L329-A463 VanDerWaalsContact O-CA 3.32Å; L329-A463 WeakPolarHBondContact O-CA 3.47Å; L329-Y484 HydrophobicContact CD2-CD1 4.18Å; L329-Y484 HydrophobicContact CD2-CE1 3.99Å; L329-A486 HydrophobicContact CD2-CB 3.73Å
330	P	83	Confident	87.1	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.013	10%	0.098	C	C	.	.			trans	-58.7	159.9	-179.3	18.9	-26.9	0	0	0	112.7	G332 A333 K335 W488 L491 I497	P330-G332 PolarHBondContact O-N 3.27Å; P330-A333 HydrophobicContact CG-CB 3.86Å; P330-A333 WeakPolarHBondContact O-CB 3.23Å; P330-A333 PolarHBondContact O-N 3.05Å; P330-K335 PolarHBondContact O-NZ 2.94Å; P330-W488 HydrophobicContact CB-CD2 3.95Å; P330-W488 HydrophobicContact CB-CE3 3.71Å; P330-W488 HydrophobicContact CB-CH2 3.29Å; P330-W488 HydrophobicContact CB-CZ2 3.51Å; P330-W488 HydrophobicContact CB-CZ3 3.37Å; P330-W488 HydrophobicContact CG-CD2 4.31Å; P330-W488 HydrophobicContact CG-CE3 4.25Å; P330-W488 HydrophobicContact CG-CZ3 4.35Å; P330-L491 HydrophobicContact CG-CD1 3.36Å; P330-I497 HydrophobicContact CB-CD1 4.01Å; P330-I497 HydrophobicContact CG-CD1 3.63Å
331	C	78.9	Confident	88.1	Confident	6 Å²	6	12.8 Å²	12.8	4%	0.041	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	137.5	174.2	-65.2	0	0	0	0	109.9	A333 R637	C331-A333 VanDerWaalsContact C-N 3.28Å; C331-A333 PolarHBondContact O-N 3.28Å; C331-R637 HydrophobicContact CB-CG 3.74Å
332	G	77	Confident	88.7	Confident	38 Å²	38	8.6 Å²	8.6	39%	0.392	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-10.2	-176	0	0	0	0	0	115.9	P330 G334	P330-G332 PolarHBondContact O-N 3.27Å; G332-G334 PolarHBondContact O-N 3.2Å
333	A	81.7	Confident	89	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-77.6	2.8	178.8	0	0	0	0	0	114.6	Y308 Q309 L329 P330 C331 L491	Y308-A333 HydrophobicContact CE2-CB 3.95Å; Y308-A333 VanDerWaalsContact CE2-O 3.3Å; Y308-A333 WeakPolarHBondContact CE2-O 3.22Å; Y308-A333 WeakPolarHBondContact OH-CA 2.72Å; Y308-A333 PolarHBondContact OH-O 2.95Å; Q309-A333 PolarHBondContact NE2-O 3.03Å; L329-A333 HydrophobicContact CB-CB 4.43Å; P330-A333 HydrophobicContact CG-CB 3.86Å; P330-A333 WeakPolarHBondContact O-CB 3.23Å; P330-A333 PolarHBondContact O-N 3.05Å; C331-A333 VanDerWaalsContact C-N 3.28Å; C331-A333 PolarHBondContact O-N 3.28Å; A333-L491 HydrophobicContact CB-CD1 4.33Å
334	G	84.6	Confident	89.3	Confident	27 Å²	27	8.9 Å²	8.9	28%	0.278	7%	0.067	S	C	.	.			trans	84.5	39.9	179.4	0	0	0	0	0	114.6	G332 S336 L337 V338	G332-G334 PolarHBondContact O-N 3.2Å; G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.25Å; G334-L337 WeakPolarHBondContact O-CB 3.34Å; G334-L337 PolarHBondContact O-N 3Å; G334-L337 VanDerWaalsContact O-N 3.12Å; G334-V338 PolarHBondContact O-N 3.4Å
335	K	88.7	Confident	89.5	Confident	23 Å²	23	11.2 Å²	11.2	10%	0.1	8%	0.081	C	C	.	.	H	α-helix	trans	-47.5	-48.7	172.2	-83.5	-171.4	-78.1	-96.5	0	112.9	L329 P330 L337 V338 G339 A463	L329-K335 HydrophobicContact CB-CG 3.68Å; L329-K335 HydrophobicContact CD1-CG 4.45Å; L329-K335 WeakPolarHBondContact O-CD 3.45Å; L329-K335 PolarHBondContact O-NZ 3.44Å; P330-K335 PolarHBondContact O-NZ 2.94Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.48Å; K335-V338 PolarHBondContact O-N 3.18Å; K335-G339 PolarHBondContact O-N 3.13Å; K335-G339 VanDerWaalsContact O-N 3.16Å; K335-A463 VanDerWaalsContact NZ-CB 3.26Å
336	S	90.8	Very high	89.6	Confident	33 Å²	33	11.3 Å²	11.3	23%	0.231	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-36.3	-178.3	-48.7	0	0	0	0	112.3	G334 G339 V340	G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.25Å; S336-G339 PolarHBondContact O-N 2.68Å; S336-V340 VanDerWaalsContact O-CG2 3.29Å; S336-V340 WeakPolarHBondContact O-CG2 3.19Å; S336-V340 PolarHBondContact O-N 3.38Å
337	L	93.2	Very high	89.7	Confident	14 Å²	14	12.9 Å²	12.9	7%	0.073	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-42.6	177.2	-176.4	59.4	0	0	0	111.2	L305 G334 K335 G339 V340 T341 W370	L305-L337 HydrophobicContact CD2-CD1 4.43Å; L305-L337 HydrophobicContact CD2-CD2 3.85Å; L305-L337 HydrophobicContact CD2-CG 3.81Å; G334-L337 WeakPolarHBondContact O-CB 3.34Å; G334-L337 PolarHBondContact O-N 3Å; G334-L337 VanDerWaalsContact O-N 3.12Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.48Å; L337-G339 VanDerWaalsContact C-N 3.33Å; L337-G339 PolarHBondContact O-N 3.04Å; L337-V340 PolarHBondContact O-N 2.91Å; L337-T341 PolarHBondContact O-N 3.11Å; L337-T341 PolarHBondContact O-OG1 3.43Å; L337-W370 HydrophobicContact CD1-CB 3.96Å; L337-W370 HydrophobicContact CD1-CD2 3.86Å; L337-W370 HydrophobicContact CD1-CE3 4.39Å; L337-W370 HydrophobicContact CD1-CG 3.67Å
338	V	94.6	Very high	89.6	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-42.9	174.9	174.7	0	0	0	0	111.4	Q309 L313 I327 L329 G334 K335 T341 A342 L461	Q309-V338 HydrophobicContact CB-CG2 3.82Å; Q309-V338 HydrophobicContact CG-CG2 3.84Å; L313-V338 HydrophobicContact CD2-CG1 3.82Å; L313-V338 HydrophobicContact CG-CG1 4.16Å; I327-V338 HydrophobicContact CD1-CG1 4.06Å; L329-V338 HydrophobicContact CD1-CB 4.28Å; L329-V338 HydrophobicContact CD1-CG2 3.7Å; G334-V338 PolarHBondContact O-N 3.4Å; K335-V338 PolarHBondContact O-N 3.18Å; V338-T341 PolarHBondContact O-N 2.99Å; V338-A342 WeakPolarHBondContact O-CB 3.34Å; V338-A342 PolarHBondContact O-N 3.24Å; V338-L461 HydrophobicContact CG1-CD2 4.35Å
339	G	94.2	Very high	89.7	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-41.2	175.3	0	0	0	0	0	113.5	K335 S336 L337 A342 C343	K335-G339 PolarHBondContact O-N 3.13Å; K335-G339 VanDerWaalsContact O-N 3.16Å; S336-G339 PolarHBondContact O-N 2.68Å; L337-G339 VanDerWaalsContact C-N 3.33Å; L337-G339 PolarHBondContact O-N 3.04Å; G339-A342 PolarHBondContact O-N 3.49Å; G339-C343 WeakPolarHBondContact O-CB 3.46Å; G339-C343 PolarHBondContact O-N 2.96Å
340	V	94.7	Very high	90	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-46	175.5	174.4	0	0	0	0	110.4	L299 S336 L337 A342 C343 C344 Q366 F367 W370	L299-V340 HydrophobicContact CD1-CG1 4.38Å; S336-V340 VanDerWaalsContact O-CG2 3.29Å; S336-V340 WeakPolarHBondContact O-CG2 3.19Å; S336-V340 PolarHBondContact O-N 3.38Å; L337-V340 PolarHBondContact O-N 2.91Å; V340-A342 PolarHBondContact O-N 2.88Å; V340-C343 WeakPolarHBondContact O-CB 3.37Å; V340-C343 PolarHBondContact O-N 3.3Å; V340-C344 PolarHBondContact O-N 2.7Å; V340-C344 PolarHBondContact O-SG 3.18Å; V340-Q366 HydrophobicContact CG2-CB 4.49Å; V340-F367 HydrophobicContact CB-CD1 4.38Å; V340-F367 HydrophobicContact CB-CE1 4.28Å; V340-F367 HydrophobicContact CG1-CD1 4.1Å; V340-F367 HydrophobicContact CG1-CE1 4.34Å; V340-F367 HydrophobicContact CG2-CD1 3.79Å; V340-F367 HydrophobicContact CG2-CD2 4.44Å; V340-F367 HydrophobicContact CG2-CE1 3.87Å; V340-F367 HydrophobicContact CG2-CG 4.08Å; V340-F367 HydrophobicContact CG2-CZ 4.23Å; V340-W370 HydrophobicContact CG1-CB 4.16Å
341	T	94.8	Very high	90.5	Very high	10 Å²	10	13.4 Å²	13.4	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-44.9	177.4	-55.6	0	0	0	0	111.5	L305 L313 L337 V338 C343 C344 T345	L305-T341 HydrophobicContact CD1-CG2 3.94Å; L313-T341 HydrophobicContact CD1-CG2 3.47Å; L313-T341 VanDerWaalsContact CD1-CG2 3.47Å; L337-T341 PolarHBondContact O-N 3.11Å; L337-T341 PolarHBondContact O-OG1 3.43Å; V338-T341 PolarHBondContact O-N 2.99Å; T341-C343 VanDerWaalsContact C-N 3.26Å; T341-C343 PolarHBondContact O-N 3.27Å; T341-C344 PolarHBondContact O-N 3.46Å; T341-C344 VanDerWaalsContact O-N 3.14Å; T341-T345 PolarHBondContact O-N 3.23Å; T341-T345 PolarHBondContact O-OG1 3.43Å
342	A	94.4	Very high	91.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-39.9	176.1	0	0	0	0	0	112	L313 M316 F317 V338 G339 V340 T345 V346 L432 L459	L313-A342 HydrophobicContact CD2-CB 4.07Å; M316-A342 HydrophobicContact CE-CB 4.2Å; M316-A342 HydrophobicContact SD-CB 4.02Å; F317-A342 HydrophobicContact CE2-CB 4.27Å; F317-A342 HydrophobicContact CZ-CB 4.15Å; V338-A342 WeakPolarHBondContact O-CB 3.34Å; V338-A342 PolarHBondContact O-N 3.24Å; G339-A342 PolarHBondContact O-N 3.49Å; V340-A342 PolarHBondContact O-N 2.88Å; A342-T345 PolarHBondContact O-N 3.27Å; A342-V346 WeakPolarHBondContact O-CG2 3.32Å; A342-V346 PolarHBondContact O-N 2.82Å; A342-L432 HydrophobicContact CB-CD2 4.14Å; A342-L459 HydrophobicContact CB-CD2 3.71Å
343	C	94	Very high	92	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-44.7	174.3	-173.9	0	0	0	0	112.3	G339 V340 T341 T345 N347 C350 F367 L432	G339-C343 WeakPolarHBondContact O-CB 3.46Å; G339-C343 PolarHBondContact O-N 2.96Å; V340-C343 WeakPolarHBondContact O-CB 3.37Å; V340-C343 PolarHBondContact O-N 3.3Å; T341-C343 VanDerWaalsContact C-N 3.26Å; T341-C343 PolarHBondContact O-N 3.27Å; C343-T345 VanDerWaalsContact C-N 3.35Å; C343-N347 PolarHBondContact O-N 2.84Å; C343-C350 WeakPolarHBondContact SG-CB 3.27Å; C343-C350 VanDerWaalsContact SG-SG 3.67Å; C343-F367 HydrophobicContact CB-CE1 3.91Å; C343-F367 HydrophobicContact CB-CZ 4.39Å; C343-L432 HydrophobicContact CB-CD2 4.4Å
344	C	92.8	Very high	92.5	Very high	16 Å²	16	11.3 Å²	11.3	11%	0.108	7%	0.071	C	C	.	.	H	α-helix	trans	-64.8	-38.5	176.5	-61.5	0	0	0	0	111.7	V340 T341 N347	V340-C344 PolarHBondContact O-N 2.7Å; V340-C344 PolarHBondContact O-SG 3.18Å; T341-C344 PolarHBondContact O-N 3.46Å; T341-C344 VanDerWaalsContact O-N 3.14Å; C344-N347 PolarHBondContact O-N 3.14Å
345	T	91.9	Very high	92.6	Very high	58 Å²	58	13 Å²	13	36%	0.356	7%	0.073	S	C	.	.	H	α-helix	trans	-69.2	-43.1	179.6	-53.9	0	0	0	0	112.3	F286 F317 T341 A342 C343 N347	F286-T345 HydrophobicContact CE2-CG2 4.46Å; F286-T345 WeakPolarHBondContact CE2-O 3.31Å; F286-T345 HydrophobicContact CZ-CG2 4.22Å; F317-T345 HydrophobicContact CD1-CG2 4.15Å; F317-T345 HydrophobicContact CD2-CG2 4.14Å; F317-T345 HydrophobicContact CE1-CG2 3.91Å; F317-T345 HydrophobicContact CE2-CG2 3.9Å; F317-T345 HydrophobicContact CG-CG2 4.26Å; F317-T345 HydrophobicContact CZ-CG2 3.79Å; T341-T345 PolarHBondContact O-N 3.23Å; T341-T345 PolarHBondContact O-OG1 3.43Å; A342-T345 PolarHBondContact O-N 3.27Å; C343-T345 VanDerWaalsContact C-N 3.35Å; T345-N347 VanDerWaalsContact C-N 3.31Å
346	V	91.6	Very high	92.4	Very high	2 Å²	2	13 Å²	13	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-68.6	-35.3	175.8	175.1	0	0	0	0	110.6	Y284 F286 F317 A322 A342 K348 L432	Y284-V346 HydrophobicContact CD1-CG1 4.33Å; Y284-V346 HydrophobicContact CE1-CG1 3.97Å; F286-V346 HydrophobicContact CB-CG1 4Å; F286-V346 HydrophobicContact CG-CG1 4.38Å; F317-V346 HydrophobicContact CE1-CG2 3.72Å; F317-V346 HydrophobicContact CZ-CG2 3.94Å; A322-V346 HydrophobicContact CB-CG2 4.28Å; A342-V346 WeakPolarHBondContact O-CG2 3.32Å; A342-V346 PolarHBondContact O-N 2.82Å; V346-K348 HydrophobicContact CG1-CB 3.97Å; V346-K348 HydrophobicContact CG1-CG 3.95Å; V346-K348 WeakPolarHBondContact O-CG 3.44Å; V346-K348 PolarHBondContact O-N 3.44Å; V346-K348 VanDerWaalsContact O-N 3.14Å; V346-L432 HydrophobicContact CG1-CB 4.48Å; V346-L432 HydrophobicContact CG2-CD2 4.46Å
347	N	91.1	Very high	92.1	Very high	33 Å²	33	13.5 Å²	13.5	18%	0.176	8%	0.076	C	C	.	.			trans	54	28.1	178.3	-160.5	19.1	0	0	0	114.5	N294 L295 D296 I297 C343 C344 T345	N294-N347 CarbonylContact C-O 3.52Å; N294-N347 WeakPolarHBondContact CA-O 3.3Å; L295-N347 WeakPolarHBondContact CB-OD1 3.49Å; L295-N347 PolarHBondContact N-O 3Å; L295-N347 PolarHBondContact N-OD1 3.18Å; D296-N347 PolarHBondContact N-OD1 2.9Å; I297-N347 PolarHBondContact N-OD1 2.95Å; C343-N347 PolarHBondContact O-N 2.84Å; C344-N347 PolarHBondContact O-N 3.14Å; T345-N347 VanDerWaalsContact C-N 3.31Å
348	K	90.6	Very high	91.6	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.017	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-120.3	168.5	175.1	-55.8	-62	-168.5	-179.5	0	110.5	Y284 F286 D289 N292 N294 L295 V346 C350	Y284-K348 HydrophobicContact CE1-CG 4.21Å; F286-K348 WeakPolarHBondContact O-CE 3.4Å; D289-K348 PolarHBondContact O-NZ 2.92Å; N292-K348 HydrophobicContact CB-CD 4.05Å; N292-K348 PolarHBondContact O-NZ 3.07Å; N294-K348 WeakPolarHBondContact OD1-CD 3.29Å; N294-K348 WeakPolarHBondContact OD1-CE 3.37Å; N294-K348 PolarHBondContact OD1-NZ 3.09Å; L295-K348 VanDerWaalsContact CD1-C 3.47Å; L295-K348 WeakPolarHBondContact CD1-O 3.01Å; V346-K348 HydrophobicContact CG1-CB 3.97Å; V346-K348 HydrophobicContact CG1-CG 3.95Å; V346-K348 WeakPolarHBondContact O-CG 3.44Å; V346-K348 PolarHBondContact O-N 3.44Å; V346-K348 VanDerWaalsContact O-N 3.14Å; K348-C350 PolarHBondContact O-N 3.07Å
349	R	92.3	Very high	91.2	Very high	16 Å²	16	16 Å²	16	6%	0.06	9%	0.093	C	C	.	.			trans	-46.7	129.3	177.9	-65.8	177.4	178.8	172.4	-6.7	111.8	N396 P398 Q428 W430 G431 L432	R349-N396 PolarHBondContact NH2-O 2.89Å; R349-P398 HydrophobicContact CG-CB 3.72Å; R349-Q428 VanDerWaalsContact NH1-CD 3.34Å; R349-W430 HydrophobicContact CB-CE3 3.95Å; R349-W430 HydrophobicContact CB-CZ3 4.22Å; R349-G431 PolarHBondContact O-N 3.24Å; R349-L432 PolarHBondContact O-N 3Å
350	C	94.3	Very high	91	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.1	-172.8	-179.2	0	0	0	0	111.2	C343 K348 I400 C401 W430 L432	C343-C350 WeakPolarHBondContact SG-CB 3.27Å; C343-C350 VanDerWaalsContact SG-SG 3.67Å; K348-C350 PolarHBondContact O-N 3.07Å; C350-I400 HydrophobicContact CB-CG1 4.47Å; C350-I400 WeakPolarHBondContact O-CA 3.39Å; C350-C401 PolarHBondContact O-N 2.92Å; C350-W430 VanDerWaalsContact C-CZ3 3.44Å; C350-W430 VanDerWaalsContact O-CZ3 3.26Å; C350-W430 WeakPolarHBondContact O-CZ3 3.25Å; C350-L432 VanDerWaalsContact CA-O 3.27Å; C350-L432 WeakPolarHBondContact CA-O 3.26Å
351	L	94.4	Very high	90.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.2	173.4	-179.9	67.1	0	0	0	109.5	L353 C401 I408 I425 W430 L432 I433 V434 V453	L351-L353 HydrophobicContact CD1-CD2 4.15Å; L351-L353 HydrophobicContact CD2-CD1 4.41Å; L351-L353 HydrophobicContact CD2-CD2 3.97Å; L351-L353 HydrophobicContact CD2-CG 4.31Å; L351-L353 HydrophobicContact CG-CD2 3.86Å; L351-L353 HydrophobicContact CG-CG 4.15Å; L351-C401 CarbonylContact C-O 3.53Å; L351-C401 WeakPolarHBondContact CA-O 3.21Å; L351-C401 HydrophobicContact CD1-CB 3.79Å; L351-I408 HydrophobicContact CD2-CD1 4.18Å; L351-I425 HydrophobicContact CD2-CG2 4.49Å; L351-W430 HydrophobicContact CB-CD2 3.71Å; L351-W430 HydrophobicContact CB-CE3 3.6Å; L351-W430 HydrophobicContact CB-CG 4.26Å; L351-W430 HydrophobicContact CB-CH2 4.36Å; L351-W430 HydrophobicContact CB-CZ2 4.46Å; L351-W430 HydrophobicContact CB-CZ3 3.94Å; L351-W430 HydrophobicContact CD1-CH2 4.41Å; L351-W430 HydrophobicContact CD1-CZ2 4.43Å; L351-L432 PolarHBondContact N-O 3.31Å; L351-I433 HydrophobicContact CB-CG1 4.33Å; L351-I433 CarbonylContact O-C 3.58Å; L351-I433 VanDerWaalsContact O-CA 3.31Å; L351-I433 WeakPolarHBondContact O-CA 3.43Å; L351-V434 PolarHBondContact O-N 3.03Å; L351-V453 HydrophobicContact CD2-CB 4.31Å; L351-V453 HydrophobicContact CD2-CG1 3.64Å; L351-V453 HydrophobicContact CD2-CG2 3.93Å
352	C	94.7	Very high	90.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.2	174.1	-174.1	0	0	0	0	110.2	W363 C401 I402 S403 V434	C352-W363 VanDerWaalsContact SG-CD2 3.55Å; C352-C401 PolarHBondContact N-O 3.43Å; C352-I402 HydrophobicContact CB-CB 4.45Å; C352-I402 HydrophobicContact CB-CG1 4.19Å; C352-I402 HydrophobicContact CB-CG2 4.12Å; C352-I402 WeakPolarHBondContact O-CA 3.46Å; C352-S403 PolarHBondContact O-N 3Å; C352-V434 CarbonylContact C-O 3.26Å; C352-V434 WeakPolarHBondContact CA-O 3.45Å; C352-V434 HydrophobicContact CB-CB 4.42Å
353	L	93.7	Very high	90.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123	-178.3	-60.6	179.2	0	0	0	110.6	L351 S403 Y405 I408 I433 V434 L435 D436 V449	L351-L353 HydrophobicContact CD1-CD2 4.15Å; L351-L353 HydrophobicContact CD2-CD1 4.41Å; L351-L353 HydrophobicContact CD2-CD2 3.97Å; L351-L353 HydrophobicContact CD2-CG 4.31Å; L351-L353 HydrophobicContact CG-CD2 3.86Å; L351-L353 HydrophobicContact CG-CG 4.15Å; L353-S403 WeakPolarHBondContact CA-O 3.44Å; L353-Y405 HydrophobicContact CB-CD1 3.96Å; L353-Y405 HydrophobicContact CB-CE1 3.54Å; L353-Y405 HydrophobicContact CB-CE2 4.47Å; L353-Y405 HydrophobicContact CD1-CD1 4.27Å; L353-Y405 HydrophobicContact CD1-CE1 4.06Å; L353-Y405 HydrophobicContact CG-CE1 4.44Å; L353-Y405 PolarHBondContact O-OH 3.45Å; L353-I408 HydrophobicContact CD2-CD1 3.23Å; L353-I408 HydrophobicContact CD2-CG1 4.4Å; L353-I433 HydrophobicContact CD1-CG2 3.98Å; L353-I433 HydrophobicContact CG-CG2 4.38Å; L353-V434 PolarHBondContact N-O 3.37Å; L353-L435 HydrophobicContact CB-CD2 4.21Å; L353-L435 HydrophobicContact CD1-CD2 3.63Å; L353-L435 HydrophobicContact CG-CD2 4.38Å; L353-D436 WeakPolarHBondContact O-CB 3.5Å; L353-D436 PolarHBondContact O-N 3.3Å; L353-V449 HydrophobicContact CD1-CG1 3.38Å
354	C	91.5	Very high	90.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.3	-176.8	-52.1	0	0	0	0	111.8	V360 S403 T404 Y405	C354-V360 HydrophobicContact CB-CG2 4.02Å; C354-S403 PolarHBondContact N-O 2.76Å; C354-T404 CarbonylContact O-C 3.55Å; C354-T404 WeakPolarHBondContact O-CA 3.1Å; C354-Y405 VanDerWaalsContact C-CD2 3.48Å; C354-Y405 WeakPolarHBondContact O-CD2 3.17Å; C354-Y405 PolarHBondContact O-N 2.86Å
355	N	86.2	Confident	90	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	15%	0.147	S	C	.	.	S	Bend	trans	-74.5	-26.6	175.3	-72.6	-15.6	0	0	0	113.4	Y405 E437 T440	N355-Y405 WeakPolarHBondContact OD1-CD2 3.24Å; N355-Y405 WeakPolarHBondContact OD1-CE2 3.19Å; N355-E437 VanDerWaalsContact ND2-CB 3.28Å; N355-E437 WeakPolarHBondContact ND2-CB 3.38Å; N355-T440 PolarHBondContact OD1-OG1 2.98Å
356	S	83.8	Confident	90	Very high	23 Å²	23	27.3 Å²	27.3	16%	0.161	14%	0.143	C	C	.	.	S	Bend	trans	-145.5	163.5	-166.7	73.2	0	0	0	0	113	V358 S359 V360 S609	S356-V358 VanDerWaalsContact C-N 3.33Å; S356-V358 PolarHBondContact O-N 2.86Å; S356-S359 PolarHBondContact O-N 3.32Å; S356-S359 VanDerWaalsContact OG-CB 3.29Å; S356-S359 WeakPolarHBondContact OG-CB 3.41Å; S356-S359 PolarHBondContact OG-N 2.98Å; S356-S359 PolarHBondContact OG-OG 2.75Å; S356-V360 WeakPolarHBondContact O-CG2 3.36Å; S356-V360 PolarHBondContact O-N 3.15Å; S356-S609 WeakPolarHBondContact CB-OG 3.11Å; S356-S609 WeakPolarHBondContact OG-CB 3.16Å; S356-S609 PolarHBondContact OG-OG 2.85Å
357	N	84.5	Confident	90.1	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-34	174.7	-69.1	-12.5	0	0	0	112.8	V360 Q361	N357-V360 WeakPolarHBondContact O-CB 3.48Å; N357-V360 PolarHBondContact O-N 2.83Å; N357-Q361 PolarHBondContact O-N 2.82Å
358	V	83.1	Confident	90.1	Very high	53 Å²	53	29.2 Å²	29.2	32%	0.321	15%	0.149	S	C	.	.	H	α-helix	trans	-70.5	-39	179.7	-169.8	0	0	0	0	110.5	S356 V360 Q361 Q362 S609	S356-V358 VanDerWaalsContact C-N 3.33Å; S356-V358 PolarHBondContact O-N 2.86Å; V358-V360 VanDerWaalsContact C-N 3.29Å; V358-V360 PolarHBondContact O-N 2.77Å; V358-Q361 PolarHBondContact O-N 2.81Å; V358-Q361 VanDerWaalsContact O-N 3.16Å; V358-Q362 WeakPolarHBondContact O-CG 3.16Å; V358-Q362 PolarHBondContact O-N 2.8Å; V358-S609 WeakPolarHBondContact CB-O 3.41Å; V358-S609 WeakPolarHBondContact CG1-O 3.49Å
359	S	86.2	Confident	90.1	Very high	15 Å²	15	33.8 Å²	33.8	11%	0.105	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-39.3	172.4	-61.2	0	0	0	0	111.5	S356 Q361 Q362 W363	S356-S359 PolarHBondContact O-N 3.32Å; S356-S359 VanDerWaalsContact OG-CB 3.29Å; S356-S359 WeakPolarHBondContact OG-CB 3.41Å; S356-S359 PolarHBondContact OG-N 2.98Å; S356-S359 PolarHBondContact OG-OG 2.75Å; S359-Q361 VanDerWaalsContact C-N 3.32Å; S359-Q361 PolarHBondContact O-N 3.26Å; S359-Q362 PolarHBondContact O-N 2.82Å; S359-W363 WeakPolarHBondContact O-CB 3.27Å; S359-W363 VanDerWaalsContact O-CD1 3.25Å; S359-W363 PolarHBondContact O-N 2.86Å
360	V	89.5	Confident	90.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.8	170.8	0	0	0	0	111.4	C354 S356 N357 V358 A364 R380 T382 I402 T404	C354-V360 HydrophobicContact CB-CG2 4.02Å; S356-V360 WeakPolarHBondContact O-CG2 3.36Å; S356-V360 PolarHBondContact O-N 3.15Å; N357-V360 WeakPolarHBondContact O-CB 3.48Å; N357-V360 PolarHBondContact O-N 2.83Å; V358-V360 VanDerWaalsContact C-N 3.29Å; V358-V360 PolarHBondContact O-N 2.77Å; V360-A364 WeakPolarHBondContact O-CB 3.31Å; V360-A364 PolarHBondContact O-N 3.17Å; V360-R380 HydrophobicContact CG1-CB 4.16Å; V360-R380 HydrophobicContact CG1-CG 4.12Å; V360-T382 HydrophobicContact CB-CG2 4.06Å; V360-T382 HydrophobicContact CG1-CG2 3.8Å; V360-T382 HydrophobicContact CG2-CG2 3.98Å; V360-I402 HydrophobicContact CB-CG2 4.09Å; V360-I402 HydrophobicContact CG1-CB 4.1Å; V360-I402 HydrophobicContact CG1-CG2 3.72Å; V360-I402 HydrophobicContact CG2-CG2 4.1Å; V360-T404 HydrophobicContact CG2-CG2 3.75Å
361	Q	87.8	Confident	90	Very high	92 Å²	92	35.7 Å²	35.7	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-41	176.7	-67.4	-178.3	0.8	0	0	112.2	N357 V358 S359 A364 N365	N357-Q361 PolarHBondContact O-N 2.82Å; V358-Q361 PolarHBondContact O-N 2.81Å; V358-Q361 VanDerWaalsContact O-N 3.16Å; S359-Q361 VanDerWaalsContact C-N 3.32Å; S359-Q361 PolarHBondContact O-N 3.26Å; Q361-A364 PolarHBondContact O-N 2.82Å; Q361-N365 WeakPolarHBondContact O-CB 3.46Å; Q361-N365 VanDerWaalsContact O-CG 3.25Å; Q361-N365 PolarHBondContact O-N 3.08Å; Q361-N365 PolarHBondContact O-ND2 3.28Å
362	Q	88	Confident	89.9	Confident	68 Å²	68	39.3 Å²	39.3	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-50.1	175.5	-72.9	173.3	-9.4	0	0	110.9	V358 S359 A364 N365 Q366 S609	V358-Q362 WeakPolarHBondContact O-CG 3.16Å; V358-Q362 PolarHBondContact O-N 2.8Å; S359-Q362 PolarHBondContact O-N 2.82Å; Q362-A364 PolarHBondContact O-N 3.3Å; Q362-N365 PolarHBondContact O-N 3.46Å; Q362-N365 VanDerWaalsContact O-N 3.16Å; Q362-Q366 VanDerWaalsContact O-CG 3.32Å; Q362-Q366 WeakPolarHBondContact O-CG 3.46Å; Q362-Q366 PolarHBondContact O-N 3.27Å; Q362-S609 PolarHBondContact NE2-O 3.05Å
363	W	92	Very high	89.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-45.5	176.8	-86.3	99.1	0	0	0	112	C352 S359 N365 Q366 F367 I402 V434 D436 L461	C352-W363 VanDerWaalsContact SG-CD2 3.55Å; S359-W363 WeakPolarHBondContact O-CB 3.27Å; S359-W363 VanDerWaalsContact O-CD1 3.25Å; S359-W363 PolarHBondContact O-N 2.86Å; W363-N365 VanDerWaalsContact C-N 3.28Å; W363-N365 PolarHBondContact O-N 3.31Å; W363-Q366 PolarHBondContact O-N 3.07Å; W363-Q366 VanDerWaalsContact O-N 3.13Å; W363-F367 HydrophobicContact CE3-CD2 4.28Å; W363-F367 AromaticContact CE3-CE2 3.69Å; W363-F367 HydrophobicContact CE3-CE2 3.69Å; W363-F367 HydrophobicContact CE3-CZ 4.36Å; W363-F367 HydrophobicContact CZ3-CE2 4.22Å; W363-F367 HydrophobicContact CZ3-CZ 4.46Å; W363-F367 VanDerWaalsContact O-CD2 3.24Å; W363-F367 WeakPolarHBondContact O-CD2 3.34Å; W363-F367 PolarHBondContact O-N 3.37Å; W363-I402 HydrophobicContact CB-CD1 4.17Å; W363-I402 HydrophobicContact CB-CG2 4.07Å; W363-V434 HydrophobicContact CH2-CG1 3.83Å; W363-V434 HydrophobicContact CZ2-CG1 4.29Å; W363-V434 HydrophobicContact CZ3-CG1 4.38Å; W363-D436 HydrophobicContact CZ2-CB 4.28Å; W363-D436 PolarHBondContact NE1-OD2 3.03Å; W363-L461 HydrophobicContact CH2-CD1 3.58Å; W363-L461 HydrophobicContact CZ2-CD1 3.94Å
364	A	91.7	Very high	89.1	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-41.9	175.8	0	0	0	0	0	112	V360 Q361 Q362 K368 I378 R380 I402	V360-A364 WeakPolarHBondContact O-CB 3.31Å; V360-A364 PolarHBondContact O-N 3.17Å; Q361-A364 PolarHBondContact O-N 2.82Å; Q362-A364 PolarHBondContact O-N 3.3Å; A364-K368 VanDerWaalsContact O-CG 3.32Å; A364-K368 WeakPolarHBondContact O-CG 3.11Å; A364-K368 PolarHBondContact O-N 2.85Å; A364-K368 VanDerWaalsContact O-N 3.13Å; A364-I378 HydrophobicContact CB-CG2 4.35Å; A364-R380 HydrophobicContact CB-CG 4.32Å; A364-I402 HydrophobicContact CB-CD1 3.89Å
365	N	91.1	Very high	88.8	Confident	100 Å²	100	47.2 Å²	47.2	54%	0.535	25%	0.25	S	S	.	.	H	α-helix	trans	-68.1	-39	176.5	-69.8	-17.9	0	0	0	112.2	Q361 Q362 W363 K368 M369	Q361-N365 WeakPolarHBondContact O-CB 3.46Å; Q361-N365 VanDerWaalsContact O-CG 3.25Å; Q361-N365 PolarHBondContact O-N 3.08Å; Q361-N365 PolarHBondContact O-ND2 3.28Å; Q362-N365 PolarHBondContact O-N 3.46Å; Q362-N365 VanDerWaalsContact O-N 3.16Å; W363-N365 VanDerWaalsContact C-N 3.28Å; W363-N365 PolarHBondContact O-N 3.31Å; N365-K368 PolarHBondContact O-N 2.59Å; N365-M369 VanDerWaalsContact O-CB 3.31Å; N365-M369 WeakPolarHBondContact O-CB 3.27Å; N365-M369 PolarHBondContact O-N 2.79Å
366	Q	91.9	Very high	88.7	Confident	58 Å²	58	46.7 Å²	46.7	27%	0.271	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.9	-66.7	-57.3	-47.1	0	0	111.9	V340 Q362 W363 K368 M369 W370	V340-Q366 HydrophobicContact CG2-CB 4.49Å; Q362-Q366 VanDerWaalsContact O-CG 3.32Å; Q362-Q366 WeakPolarHBondContact O-CG 3.46Å; Q362-Q366 PolarHBondContact O-N 3.27Å; W363-Q366 PolarHBondContact O-N 3.07Å; W363-Q366 VanDerWaalsContact O-N 3.13Å; Q366-K368 PolarHBondContact O-N 2.66Å; Q366-M369 PolarHBondContact O-N 2.83Å; Q366-W370 VanDerWaalsContact O-CD1 3.29Å; Q366-W370 PolarHBondContact O-N 3.15Å; Q366-W370 VanDerWaalsContact OE1-CD1 3.29Å
367	F	92.8	Very high	88.8	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-48	172.6	-84.2	-71.7	0	0	0	111	V340 C343 W363 M369 S371 I378 I400 I402	V340-F367 HydrophobicContact CB-CD1 4.38Å; V340-F367 HydrophobicContact CB-CE1 4.28Å; V340-F367 HydrophobicContact CG1-CD1 4.1Å; V340-F367 HydrophobicContact CG1-CE1 4.34Å; V340-F367 HydrophobicContact CG2-CD1 3.79Å; V340-F367 HydrophobicContact CG2-CD2 4.44Å; V340-F367 HydrophobicContact CG2-CE1 3.87Å; V340-F367 HydrophobicContact CG2-CG 4.08Å; V340-F367 HydrophobicContact CG2-CZ 4.23Å; C343-F367 HydrophobicContact CB-CE1 3.91Å; C343-F367 HydrophobicContact CB-CZ 4.39Å; W363-F367 HydrophobicContact CE3-CD2 4.28Å; W363-F367 AromaticContact CE3-CE2 3.69Å; W363-F367 HydrophobicContact CE3-CE2 3.69Å; W363-F367 HydrophobicContact CE3-CZ 4.36Å; W363-F367 HydrophobicContact CZ3-CE2 4.22Å; W363-F367 HydrophobicContact CZ3-CZ 4.46Å; W363-F367 VanDerWaalsContact O-CD2 3.24Å; W363-F367 WeakPolarHBondContact O-CD2 3.34Å; W363-F367 PolarHBondContact O-N 3.37Å; F367-M369 VanDerWaalsContact C-N 3.31Å; F367-M369 PolarHBondContact O-N 3.19Å; F367-S371 WeakPolarHBondContact O-CA 3.47Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.1Å; F367-S371 PolarHBondContact O-N 3.17Å; F367-S371 PolarHBondContact O-OG 2.78Å; F367-I378 HydrophobicContact CB-CD1 3.86Å; F367-I400 HydrophobicContact CD1-CD1 3.84Å; F367-I400 HydrophobicContact CD2-CG2 4.34Å; F367-I400 HydrophobicContact CE1-CD1 3.95Å; F367-I400 HydrophobicContact CE1-CG2 4.28Å; F367-I400 HydrophobicContact CE2-CG2 4.06Å; F367-I400 HydrophobicContact CZ-CG2 4.03Å; F367-I402 HydrophobicContact CD2-CD1 3.83Å; F367-I402 HydrophobicContact CE2-CD1 4.2Å
368	K	92.2	Very high	89	Confident	73 Å²	73	46.9 Å²	46.9	32%	0.317	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-36.6	177.2	-69.1	178.2	-170.9	-161.2	0	113.1	K300 A364 N365 Q366 S375 I378	K300-K368 PolarHBondContact NZ-O 2.91Å; A364-K368 VanDerWaalsContact O-CG 3.32Å; A364-K368 WeakPolarHBondContact O-CG 3.11Å; A364-K368 PolarHBondContact O-N 2.85Å; A364-K368 VanDerWaalsContact O-N 3.13Å; N365-K368 PolarHBondContact O-N 2.59Å; Q366-K368 PolarHBondContact O-N 2.66Å; K368-S375 VanDerWaalsContact CE-OG 3.22Å; K368-S375 WeakPolarHBondContact CE-OG 3.38Å; K368-S375 PolarHBondContact NZ-OG 2.82Å; K368-I378 HydrophobicContact CG-CD1 3.65Å
369	M	90.9	Very high	89.3	Confident	101 Å²	101	44.9 Å²	44.9	50%	0.498	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-48	-176.4	-174.2	171.7	-179	0	0	111.9	K300 N365 Q366 F367	K300-M369 WeakPolarHBondContact CD-O 3.49Å; K300-M369 PolarHBondContact NZ-O 2.97Å; N365-M369 VanDerWaalsContact O-CB 3.31Å; N365-M369 WeakPolarHBondContact O-CB 3.27Å; N365-M369 PolarHBondContact O-N 2.79Å; Q366-M369 PolarHBondContact O-N 2.83Å; F367-M369 VanDerWaalsContact C-N 3.31Å; F367-M369 PolarHBondContact O-N 3.19Å
370	W	92.1	Very high	89.5	Confident	55 Å²	55	47.8 Å²	47.8	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-100.5	-22.5	-169.3	-60.3	113.4	0	0	0	115	L299 K300 A303 L337 V340 Q366	L299-W370 HydrophobicContact CD1-CB 4.42Å; K300-W370 WeakPolarHBondContact CB-O 3.29Å; K300-W370 PolarHBondContact N-O 3.05Å; A303-W370 HydrophobicContact CB-CD2 4.39Å; A303-W370 HydrophobicContact CB-CE3 3.49Å; A303-W370 VanDerWaalsContact CB-CE3 3.49Å; A303-W370 HydrophobicContact CB-CZ3 4.08Å; L337-W370 HydrophobicContact CD1-CB 3.96Å; L337-W370 HydrophobicContact CD1-CD2 3.86Å; L337-W370 HydrophobicContact CD1-CE3 4.39Å; L337-W370 HydrophobicContact CD1-CG 3.67Å; V340-W370 HydrophobicContact CG1-CB 4.16Å; Q366-W370 VanDerWaalsContact O-CD1 3.29Å; Q366-W370 PolarHBondContact O-N 3.15Å; Q366-W370 VanDerWaalsContact OE1-CD1 3.29Å
371	S	91.6	Very high	89.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-103.4	162.5	176.6	80.1	0	0	0	0	111.9	D298 K300 F367 A373	D298-S371 WeakPolarHBondContact O-CA 3.39Å; K300-S371 WeakPolarHBondContact CD-O 3.09Å; K300-S371 WeakPolarHBondContact CE-O 3.39Å; K300-S371 PolarHBondContact NZ-O 3.46Å; F367-S371 WeakPolarHBondContact O-CA 3.47Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.1Å; F367-S371 PolarHBondContact O-N 3.17Å; F367-S371 PolarHBondContact O-OG 2.78Å; S371-A373 PolarHBondContact O-N 3.12Å; S371-A373 WeakPolarHBondContact OG-CB 3.48Å; S371-A373 PolarHBondContact OG-N 2.82Å
372	T	91.8	Very high	89.1	Confident	76 Å²	76	44 Å²	44	47%	0.466	23%	0.226	S	C	.	.			trans	-78.8	4.9	171.8	57.5	0	0	0	0	113.2	D298 K300 D374	D298-T372 HydrophobicContact CB-CG2 4.42Å; D298-T372 PolarHBondContact N-OG1 2.93Å; D298-T372 PolarHBondContact O-N 2.91Å; D298-T372 PolarHBondContact O-OG1 3.28Å; K300-T372 HydrophobicContact CG-CG2 3.99Å; T372-D374 PolarHBondContact O-N 3.33Å
373	A	86.2	Confident	88.4	Confident	10 Å²	10	48.6 Å²	48.6	8%	0.083	24%	0.241	C	C	.	.			trans	-61.2	123.6	-178.7	0	0	0	0	0	111.9	I297 S371 I378	I297-A373 HydrophobicContact CD1-CB 3.8Å; I297-A373 HydrophobicContact CG1-CB 4.15Å; I297-A373 HydrophobicContact CG2-CB 4.16Å; S371-A373 PolarHBondContact O-N 3.12Å; S371-A373 WeakPolarHBondContact OG-CB 3.48Å; S371-A373 PolarHBondContact OG-N 2.82Å; A373-I378 HydrophobicContact CB-CD1 4.33Å; A373-I378 HydrophobicContact CB-CG1 4.45Å
374	D	85.6	Confident	87.2	Confident	96 Å²	96	55.6 Å²	55.6	51%	0.513	27%	0.273	S	S	.	.			trans	-67.5	151.2	169.9	-177	27.5	0	0	0	110.5	T372 S376 K377	T372-D374 PolarHBondContact O-N 3.33Å; D374-S376 PolarHBondContact O-N 3.03Å; D374-S376 WeakPolarHBondContact OD2-CB 3.16Å; D374-S376 PolarHBondContact OD2-OG 3.2Å; D374-K377 PolarHBondContact O-N 3.18Å
375	S	85.3	Confident	85.7	Confident	61 Å²	61	57 Å²	57	43%	0.427	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.2	178	-67.6	0	0	0	0	112.6	K368 K377 I378	K368-S375 VanDerWaalsContact CE-OG 3.22Å; K368-S375 WeakPolarHBondContact CE-OG 3.38Å; K368-S375 PolarHBondContact NZ-OG 2.82Å; S375-K377 VanDerWaalsContact C-N 3.34Å; S375-I378 PolarHBondContact O-N 2.76Å
376	S	84.3	Confident	84.4	Confident	51 Å²	51	54.6 Å²	54.6	36%	0.357	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-72.6	-21.2	176.3	66.1	0	0	0	0	114.4	D374 F399	D374-S376 PolarHBondContact O-N 3.03Å; D374-S376 WeakPolarHBondContact OD2-CB 3.16Å; D374-S376 PolarHBondContact OD2-OG 3.2Å; S376-F399 WeakPolarHBondContact O-CE1 3.26Å
377	K	86	Confident	83.4	Confident	62 Å²	62	54.1 Å²	54.1	27%	0.27	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-86.4	-10	176.9	-67.1	-171.4	178.8	-176.5	0	113	L295 D296 I297 D374 S375 I400	L295-K377 PolarHBondContact O-NZ 2.84Å; D296-K377 PolarHBondContact O-NZ 2.6Å; I297-K377 HydrophobicContact CD1-CD 4.41Å; I297-K377 HydrophobicContact CG1-CD 4.42Å; D374-K377 PolarHBondContact O-N 3.18Å; S375-K377 VanDerWaalsContact C-N 3.34Å; K377-I400 PolarHBondContact O-N 3.48Å
378	I	89.4	Confident	82.2	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.036	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.4	-177.3	-57.4	170.4	0	0	0	108.8	A364 F367 K368 A373 S375 I400 I402	A364-I378 HydrophobicContact CB-CG2 4.35Å; F367-I378 HydrophobicContact CB-CD1 3.86Å; K368-I378 HydrophobicContact CG-CD1 3.65Å; A373-I378 HydrophobicContact CB-CD1 4.33Å; A373-I378 HydrophobicContact CB-CG1 4.45Å; S375-I378 PolarHBondContact O-N 2.76Å; I378-I400 WeakPolarHBondContact CA-O 3.23Å; I378-I402 HydrophobicContact CG2-CD1 3.85Å; I378-I402 HydrophobicContact CG2-CG1 4.43Å
379	L	89.5	Confident	81.1	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.063	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	177.2	-65.2	172.2	0	0	0	109.7	D387 P390 F399 I400 C401 I402 M421 W424	L379-D387 HydrophobicContact CD2-CB 4.09Å; L379-P390 HydrophobicContact CD1-CG 4.17Å; L379-F399 HydrophobicContact CD1-CB 3.78Å; L379-F399 HydrophobicContact CD1-CD1 3.92Å; L379-F399 HydrophobicContact CD1-CD2 4.19Å; L379-F399 HydrophobicContact CD1-CG 3.69Å; L379-F399 HydrophobicContact CG-CB 4.26Å; L379-F399 HydrophobicContact CG-CD1 4.02Å; L379-F399 HydrophobicContact CG-CG 4.23Å; L379-I400 PolarHBondContact N-O 3.34Å; L379-C401 CarbonylContact O-C 3.57Å; L379-C401 WeakPolarHBondContact O-CA 3.48Å; L379-I402 PolarHBondContact O-N 3.14Å; L379-M421 HydrophobicContact CD1-CE 4.44Å; L379-W424 HydrophobicContact CD1-CH2 4.03Å; L379-W424 HydrophobicContact CD1-CZ3 4.3Å
380	R	89.4	Confident	79.9	Confident	75 Å²	75	59.4 Å²	59.4	28%	0.283	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.2	172	-60.7	164.3	-63.8	166.4	8.4	109.2	V360 A364 S385 D387 I402	V360-R380 HydrophobicContact CG1-CB 4.16Å; V360-R380 HydrophobicContact CG1-CG 4.12Å; A364-R380 HydrophobicContact CB-CG 4.32Å; R380-S385 VanDerWaalsContact O-O 3.14Å; R380-D387 WeakPolarHBondContact CB-OD2 3.33Å; R380-D387 IonicContact CZ-OD1 2.7Å; R380-D387 IonicContact CZ-OD2 3.41Å; R380-D387 PolarHBondContact N-OD2 2.99Å; R380-D387 IonicContact NE-OD1 3.87Å; R380-D387 IonicContact NE-OD2 3.52Å; R380-D387 PolarHBondContact NE-OD2 3.25Å; R380-D387 IonicContact NH2-OD1 2.89Å; R380-D387 PolarHBondContact NH2-OD1 3.41Å; R380-D387 IonicContact NH2-OD2 2.71Å; R380-D387 PolarHBondContact NH2-OD2 2.62Å; R380-D387 PolarHBondContact O-N 2.92Å; R380-I402 WeakPolarHBondContact CA-O 3.32Å
381	F	86.3	Confident	78.4	Confident	9 Å²	9	62.6 Å²	62.6	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	91.8	177	-176.3	-131.6	0	0	0	110.2	I402 S403 M407 A418 M421 M422 I425	F381-I402 PolarHBondContact N-O 3.09Å; F381-S403 VanDerWaalsContact CD1-OG 3.23Å; F381-S403 WeakPolarHBondContact CD1-OG 2.98Å; F381-S403 WeakPolarHBondContact O-CA 3.15Å; F381-S403 PolarHBondContact O-OG 3.34Å; F381-M407 HydrophobicContact CD1-CG 3.91Å; F381-M407 HydrophobicContact CD2-CE 4.38Å; F381-M407 HydrophobicContact CE1-CB 4.44Å; F381-M407 HydrophobicContact CE1-CE 4.18Å; F381-M407 HydrophobicContact CE1-CG 3.43Å; F381-M407 VanDerWaalsContact CE1-CG 3.43Å; F381-M407 HydrophobicContact CE2-CE 3.58Å; F381-M407 HydrophobicContact CE2-CG 4.41Å; F381-M407 HydrophobicContact CZ-CE 3.46Å; F381-M407 VanDerWaalsContact CZ-CE 3.46Å; F381-M407 HydrophobicContact CZ-CG 3.74Å; F381-M407 HydrophobicContact CZ-SD 4.46Å; F381-A418 HydrophobicContact CE2-CB 4.15Å; F381-A418 HydrophobicContact CZ-CB 4.14Å; F381-M421 HydrophobicContact CB-CE 4.25Å; F381-M421 HydrophobicContact CD1-CG 4.26Å; F381-M421 HydrophobicContact CD2-CB 4.23Å; F381-M421 HydrophobicContact CD2-CG 3.62Å; F381-M421 HydrophobicContact CE1-CG 4.31Å; F381-M421 HydrophobicContact CE2-CB 3.79Å; F381-M421 HydrophobicContact CE2-CG 3.68Å; F381-M421 HydrophobicContact CG-CG 3.93Å; F381-M421 HydrophobicContact CZ-CB 4.07Å; F381-M421 HydrophobicContact CZ-CG 4.02Å; F381-M422 HydrophobicContact CE1-CG 4.19Å; F381-M422 HydrophobicContact CE1-SD 3.75Å; F381-M422 HydrophobicContact CZ-CG 4.22Å; F381-M422 HydrophobicContact CZ-SD 4.37Å; F381-I425 HydrophobicContact CD1-CD1 3.96Å; F381-I425 HydrophobicContact CE1-CD1 4.25Å
382	T	82.7	Confident	77.1	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.031	35%	0.353	C	S	.	.			trans	-132.5	166.8	176.6	63.7	0	0	0	0	110.1	V360 E384 S385	V360-T382 HydrophobicContact CB-CG2 4.06Å; V360-T382 HydrophobicContact CG1-CG2 3.8Å; V360-T382 HydrophobicContact CG2-CG2 3.98Å; T382-E384 VanDerWaalsContact C-N 3.3Å; T382-E384 PolarHBondContact O-N 2.9Å; T382-S385 PolarHBondContact N-O 2.97Å; T382-S385 VanDerWaalsContact OG1-C 3.32Å; T382-S385 WeakPolarHBondContact OG1-CA 3.44Å; T382-S385 PolarHBondContact OG1-N 3.04Å; T382-S385 PolarHBondContact OG1-O 3.26Å; T382-S385 PolarHBondContact OG1-OG 3.22Å
383	R	72.6	Confident	75.5	Confident	164 Å²	164	68.2 Å²	68.2	62%	0.619	38%	0.375	S	S	*	.	S	Bend	trans	-62.9	-35	177.8	-175.3	176.8	173.5	-177.1	-5.5	113.2	D727	R383-D727 PolarHBondContact NH1-O 3.48Å; R383-D727 VanDerWaalsContact NH1-O 3.08Å
384	E	67.9	Low	74.5	Confident	149 Å²	149	75 Å²	75	70%	0.696	40%	0.399	S	S	*	.	S	Bend	trans	-95.1	-35.2	-174.3	-61.1	-180	148.9	0	0	112.8	T382	T382-E384 VanDerWaalsContact C-N 3.3Å; T382-E384 PolarHBondContact O-N 2.9Å
385	S	61	Low	73.5	Confident	31 Å²	31	72.6 Å²	72.6	22%	0.217	39%	0.39	C	S	.	.			trans	-124.4	90.6	178.6	55.9	0	0	0	0	109.1	R380 T382	R380-S385 VanDerWaalsContact O-O 3.14Å; T382-S385 PolarHBondContact N-O 2.97Å; T382-S385 VanDerWaalsContact OG1-C 3.32Å; T382-S385 WeakPolarHBondContact OG1-CA 3.44Å; T382-S385 PolarHBondContact OG1-N 3.04Å; T382-S385 PolarHBondContact OG1-O 3.26Å; T382-S385 PolarHBondContact OG1-OG 3.22Å
386	G	62.9	Low	72.6	Confident	50 Å²	50	75.4 Å²	75.4	52%	0.515	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-96.5	101.5	168.3	0	0	0	0	0	108.4	R388	G386-R388 PolarHBondContact O-N 3Å
387	D	71.9	Confident	72.2	Confident	48 Å²	48	74.5 Å²	74.5	26%	0.257	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.1	136.7	163.6	-62.7	-38.4	0	0	0	107.1	L379 R380	L379-D387 HydrophobicContact CD2-CB 4.09Å; R380-D387 WeakPolarHBondContact CB-OD2 3.33Å; R380-D387 IonicContact CZ-OD1 2.7Å; R380-D387 IonicContact CZ-OD2 3.41Å; R380-D387 PolarHBondContact N-OD2 2.99Å; R380-D387 IonicContact NE-OD1 3.87Å; R380-D387 IonicContact NE-OD2 3.52Å; R380-D387 PolarHBondContact NE-OD2 3.25Å; R380-D387 IonicContact NH2-OD1 2.89Å; R380-D387 PolarHBondContact NH2-OD1 3.41Å; R380-D387 IonicContact NH2-OD2 2.71Å; R380-D387 PolarHBondContact NH2-OD2 2.62Å; R380-D387 PolarHBondContact O-N 2.92Å
388	R	66.5	Low	72	Confident	228 Å²	228	72.7 Å²	72.7	86%	0.86	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-67.7	148.6	-175.2	-67.5	-172.9	-178.8	-159.9	-0.1	110.6	G386	G386-R388 PolarHBondContact O-N 3Å
389	I	69.6	Low	71.9	Confident	44 Å²	44	72.8 Å²	72.8	23%	0.226	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-52.6	134.2	172.2	-56.2	167.8	0	0	0	108.4	T391 Q420 M421 W424	I389-T391 PolarHBondContact O-N 2.82Å; I389-Q420 HydrophobicContact CD1-CB 3.58Å; I389-M421 HydrophobicContact CD1-CB 4.27Å; I389-M421 HydrophobicContact CG1-CB 4.17Å; I389-M421 HydrophobicContact CG1-SD 3.7Å; I389-W424 HydrophobicContact CG2-CG 4.32Å
390	P	65.5	Low	72	Confident	14 Å²	14	72.2 Å²	72.2	9%	0.091	39%	0.387	C	S	.	.			trans	-63.4	105.1	174.1	25.3	-33.4	0	0	0	109.7	L379 R394 S395 F399 W424	L379-P390 HydrophobicContact CD1-CG 4.17Å; P390-R394 HydrophobicContact CB-CB 4.03Å; P390-S395 WeakPolarHBondContact O-CA 3.37Å; P390-F399 HydrophobicContact CB-CD2 4.47Å; P390-F399 HydrophobicContact CB-CE1 4.27Å; P390-F399 HydrophobicContact CB-CE2 3.56Å; P390-F399 HydrophobicContact CB-CZ 3.44Å; P390-F399 VanDerWaalsContact CB-CZ 3.44Å; P390-F399 HydrophobicContact CG-CD2 3.84Å; P390-F399 HydrophobicContact CG-CE1 4.48Å; P390-F399 HydrophobicContact CG-CE2 3.34Å; P390-F399 HydrophobicContact CG-CZ 3.72Å; P390-W424 HydrophobicContact CG-CZ2 4.21Å
391	T	60.6	Low	72.2	Confident	123 Å²	123	68.6 Å²	68.6	76%	0.755	37%	0.374	S	S	*	.			trans	-93.2	149.5	177.6	51.8	0	0	0	0	111.9	I389	I389-T391 PolarHBondContact O-N 2.82Å
392	G	63.6	Low	72.5	Confident	60 Å²	60	68.2 Å²	68.2	62%	0.619	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	87.1	-144.2	175.8	0	0	0	0	0	113.4	R394 S395	G392-R394 PolarHBondContact O-N 3Å; G392-S395 VanDerWaalsContact O-CB 3.31Å; G392-S395 WeakPolarHBondContact O-CB 3.46Å; G392-S395 PolarHBondContact O-N 3.3Å
393	S	58.9	Low	73	Confident	133 Å²	133	68 Å²	68	93%	0.93	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-55.5	-22	179.1	-179.8	0	0	0	0	113.6
394	R	65.9	Low	73.9	Confident	154 Å²	154	60.3 Å²	60.3	58%	0.581	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-82.8	-6.8	177	-66.9	-171.2	-177.9	-174.7	0.5	114.5	P390 G392 N396 A397 F399	P390-R394 HydrophobicContact CB-CB 4.03Å; G392-R394 PolarHBondContact O-N 3Å; R394-N396 PolarHBondContact O-N 2.89Å; R394-A397 WeakPolarHBondContact O-CB 3.28Å; R394-A397 PolarHBondContact O-N 2.81Å; R394-F399 HydrophobicContact CB-CZ 4.27Å; R394-F399 VanDerWaalsContact O-CE2 3.26Å; R394-F399 WeakPolarHBondContact O-CE2 3.47Å
395	S	63	Low	74.9	Confident	45 Å²	45	53.3 Å²	53.3	32%	0.315	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-57.8	-34.2	-176.5	-175.8	0	0	0	0	113.1	P390 G392	P390-S395 WeakPolarHBondContact O-CA 3.37Å; G392-S395 VanDerWaalsContact O-CB 3.31Å; G392-S395 WeakPolarHBondContact O-CB 3.46Å; G392-S395 PolarHBondContact O-N 3.3Å
396	N	68	Low	76.1	Confident	119 Å²	119	54.7 Å²	54.7	64%	0.636	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-97.2	-2.9	178.4	-76	-3.9	0	0	0	113.4	R349 R394	R349-N396 PolarHBondContact NH2-O 2.89Å; R394-N396 PolarHBondContact O-N 2.89Å
397	A	75.6	Confident	77.3	Confident	33 Å²	33	53.9 Å²	53.9	27%	0.273	30%	0.302	S	S	.	.	S	Bend	trans	-62.2	145	177.5	0	0	0	0	0	109.8	R394 F399	R394-A397 WeakPolarHBondContact O-CB 3.28Å; R394-A397 PolarHBondContact O-N 2.81Å; A397-F399 HydrophobicContact CB-CE2 3.66Å; A397-F399 HydrophobicContact CB-CZ 3.79Å; A397-F399 WeakPolarHBondContact O-CD2 3.34Å; A397-F399 WeakPolarHBondContact O-CE2 3.34Å
398	P	80.9	Confident	78.1	Confident	23 Å²	23	51.6 Å²	51.6	15%	0.149	29%	0.29	C	S	.	.			trans	-76.5	131.9	177.2	30.1	-31.8	0	0	0	109.6	P293 N294 L295 R349	P293-P398 HydrophobicContact CB-CG 4.38Å; P293-P398 HydrophobicContact CG-CB 4.35Å; N294-P398 WeakPolarHBondContact O-CG 3.47Å; L295-P398 HydrophobicContact CD2-CB 3.54Å; L295-P398 HydrophobicContact CD2-CG 4.06Å; L295-P398 VanDerWaalsContact CD2-O 3.24Å; L295-P398 WeakPolarHBondContact CD2-O 3.3Å; L295-P398 HydrophobicContact CG-CB 3.92Å; L295-P398 HydrophobicContact CG-CG 4.44Å; R349-P398 HydrophobicContact CG-CB 3.72Å
399	F	87	Confident	79	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.039	25%	0.249	C	C	.	.			trans	-124.6	156.2	179.3	-65.2	-85	0	0	0	111.2	S376 L379 P390 R394 A397 W424	S376-F399 WeakPolarHBondContact O-CE1 3.26Å; L379-F399 HydrophobicContact CD1-CB 3.78Å; L379-F399 HydrophobicContact CD1-CD1 3.92Å; L379-F399 HydrophobicContact CD1-CD2 4.19Å; L379-F399 HydrophobicContact CD1-CG 3.69Å; L379-F399 HydrophobicContact CG-CB 4.26Å; L379-F399 HydrophobicContact CG-CD1 4.02Å; L379-F399 HydrophobicContact CG-CG 4.23Å; P390-F399 HydrophobicContact CB-CD2 4.47Å; P390-F399 HydrophobicContact CB-CE1 4.27Å; P390-F399 HydrophobicContact CB-CE2 3.56Å; P390-F399 HydrophobicContact CB-CZ 3.44Å; P390-F399 VanDerWaalsContact CB-CZ 3.44Å; P390-F399 HydrophobicContact CG-CD2 3.84Å; P390-F399 HydrophobicContact CG-CE1 4.48Å; P390-F399 HydrophobicContact CG-CE2 3.34Å; P390-F399 HydrophobicContact CG-CZ 3.72Å; R394-F399 HydrophobicContact CB-CZ 4.27Å; R394-F399 VanDerWaalsContact O-CE2 3.26Å; R394-F399 WeakPolarHBondContact O-CE2 3.47Å; A397-F399 HydrophobicContact CB-CE2 3.66Å; A397-F399 HydrophobicContact CB-CZ 3.79Å; A397-F399 WeakPolarHBondContact O-CD2 3.34Å; A397-F399 WeakPolarHBondContact O-CE2 3.34Å; F399-W424 HydrophobicContact CB-CH2 4.47Å; F399-W424 HydrophobicContact CD2-CH2 4.33Å; F399-W424 HydrophobicContact CD2-CZ2 4.21Å
400	I	92.2	Very high	79.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.1	163.6	-59.9	171.8	0	0	0	106.7	L295 I297 C350 F367 K377 I378 L379 I402	L295-I400 HydrophobicContact CD1-CD1 4.5Å; L295-I400 HydrophobicContact CD1-CG1 3.96Å; L295-I400 HydrophobicContact CD2-CG1 4.37Å; I297-I400 HydrophobicContact CD1-CD1 3.52Å; I297-I400 HydrophobicContact CD1-CG1 4.17Å; C350-I400 HydrophobicContact CB-CG1 4.47Å; C350-I400 WeakPolarHBondContact O-CA 3.39Å; F367-I400 HydrophobicContact CD1-CD1 3.84Å; F367-I400 HydrophobicContact CD2-CG2 4.34Å; F367-I400 HydrophobicContact CE1-CD1 3.95Å; F367-I400 HydrophobicContact CE1-CG2 4.28Å; F367-I400 HydrophobicContact CE2-CG2 4.06Å; F367-I400 HydrophobicContact CZ-CG2 4.03Å; K377-I400 PolarHBondContact O-N 3.48Å; I378-I400 WeakPolarHBondContact CA-O 3.23Å; L379-I400 PolarHBondContact N-O 3.34Å; I400-I402 HydrophobicContact CG2-CG1 4.24Å
401	C	92.8	Very high	80.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.7	176.6	-177.4	0	0	0	0	109.5	C350 L351 C352 L379 W430	C350-C401 PolarHBondContact O-N 2.92Å; L351-C401 CarbonylContact C-O 3.53Å; L351-C401 WeakPolarHBondContact CA-O 3.21Å; L351-C401 HydrophobicContact CD1-CB 3.79Å; C352-C401 PolarHBondContact N-O 3.43Å; L379-C401 CarbonylContact O-C 3.57Å; L379-C401 WeakPolarHBondContact O-CA 3.48Å; C401-W430 HydrophobicContact CB-CH2 3.42Å; C401-W430 VanDerWaalsContact CB-CH2 3.42Å; C401-W430 HydrophobicContact CB-CZ2 4.35Å; C401-W430 HydrophobicContact CB-CZ3 3.94Å
402	I	94.1	Very high	81.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.6	178	-47.2	176.8	0	0	0	107.7	C352 V360 W363 A364 F367 I378 L379 R380 F381 I400	C352-I402 HydrophobicContact CB-CB 4.45Å; C352-I402 HydrophobicContact CB-CG1 4.19Å; C352-I402 HydrophobicContact CB-CG2 4.12Å; C352-I402 WeakPolarHBondContact O-CA 3.46Å; V360-I402 HydrophobicContact CB-CG2 4.09Å; V360-I402 HydrophobicContact CG1-CB 4.1Å; V360-I402 HydrophobicContact CG1-CG2 3.72Å; V360-I402 HydrophobicContact CG2-CG2 4.1Å; W363-I402 HydrophobicContact CB-CD1 4.17Å; W363-I402 HydrophobicContact CB-CG2 4.07Å; A364-I402 HydrophobicContact CB-CD1 3.89Å; F367-I402 HydrophobicContact CD2-CD1 3.83Å; F367-I402 HydrophobicContact CE2-CD1 4.2Å; I378-I402 HydrophobicContact CG2-CD1 3.85Å; I378-I402 HydrophobicContact CG2-CG1 4.43Å; L379-I402 PolarHBondContact O-N 3.14Å; R380-I402 WeakPolarHBondContact CA-O 3.32Å; F381-I402 PolarHBondContact N-O 3.09Å; I400-I402 HydrophobicContact CG2-CG1 4.24Å
403	S	92.3	Very high	82.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	175.4	-176.4	-164	0	0	0	0	112.3	C352 L353 C354 F381	C352-S403 PolarHBondContact O-N 3Å; L353-S403 WeakPolarHBondContact CA-O 3.44Å; C354-S403 PolarHBondContact N-O 2.76Å; F381-S403 VanDerWaalsContact CD1-OG 3.23Å; F381-S403 WeakPolarHBondContact CD1-OG 2.98Å; F381-S403 WeakPolarHBondContact O-CA 3.15Å; F381-S403 PolarHBondContact O-OG 3.34Å
404	T	90.9	Very high	83.4	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.025	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.5	175.2	64	0	0	0	0	111.6	C354 V360 S406 M407 I408	C354-T404 CarbonylContact O-C 3.55Å; C354-T404 WeakPolarHBondContact O-CA 3.1Å; V360-T404 HydrophobicContact CG2-CG2 3.75Å; T404-S406 PolarHBondContact O-N 3.04Å; T404-S406 PolarHBondContact OG1-OG 2.87Å; T404-M407 PolarHBondContact O-N 3.27Å; T404-M407 WeakPolarHBondContact OG1-CB 3.4Å; T404-M407 PolarHBondContact OG1-N 3.16Å; T404-I408 PolarHBondContact O-N 3.02Å
405	Y	89.7	Confident	84.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-38.9	176.6	-65.8	-73.3	0	0	0	112.7	L353 C354 N355 M407 A409 L435 D436 I441 F446	L353-Y405 HydrophobicContact CB-CD1 3.96Å; L353-Y405 HydrophobicContact CB-CE1 3.54Å; L353-Y405 HydrophobicContact CB-CE2 4.47Å; L353-Y405 HydrophobicContact CD1-CD1 4.27Å; L353-Y405 HydrophobicContact CD1-CE1 4.06Å; L353-Y405 HydrophobicContact CG-CE1 4.44Å; L353-Y405 PolarHBondContact O-OH 3.45Å; C354-Y405 VanDerWaalsContact C-CD2 3.48Å; C354-Y405 WeakPolarHBondContact O-CD2 3.17Å; C354-Y405 PolarHBondContact O-N 2.86Å; N355-Y405 WeakPolarHBondContact OD1-CD2 3.24Å; N355-Y405 WeakPolarHBondContact OD1-CE2 3.19Å; Y405-M407 PolarHBondContact O-N 3.42Å; Y405-A409 WeakPolarHBondContact O-CB 2.95Å; Y405-A409 PolarHBondContact O-N 3.33Å; Y405-L435 HydrophobicContact CE1-CD2 3.79Å; Y405-L435 WeakPolarHBondContact OH-CA 3.38Å; Y405-L435 WeakPolarHBondContact OH-CB 3.46Å; Y405-D436 WeakPolarHBondContact CE2-O 3.46Å; Y405-D436 PolarHBondContact OH-N 2.96Å; Y405-D436 PolarHBondContact OH-O 3.29Å; Y405-I441 HydrophobicContact CE1-CD1 4.25Å; Y405-I441 HydrophobicContact CE1-CG1 4.11Å; Y405-F446 VanDerWaalsContact CB-CD1 3.4Å; Y405-F446 VanDerWaalsContact CB-CE1 3.44Å; Y405-F446 HydrophobicContact CG-CD1 4.24Å; Y405-F446 HydrophobicContact CG-CE1 4.46Å; Y405-F446 HydrophobicContact CG-CG 4.42Å
406	S	86.7	Confident	85.2	Confident	59 Å²	59	54.6 Å²	54.6	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-36.9	-179.1	54.5	0	0	0	0	112.9	T404 Y410	T404-S406 PolarHBondContact O-N 3.04Å; T404-S406 PolarHBondContact OG1-OG 2.87Å; S406-Y410 WeakPolarHBondContact O-CB 3.46Å; S406-Y410 PolarHBondContact O-N 3.41Å; S406-Y410 VanDerWaalsContact O-N 3.11Å
407	M	87.8	Confident	85.9	Confident	33 Å²	33	54.7 Å²	54.7	16%	0.163	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-42.4	-179.5	-167	67.3	171	0	0	111.9	F381 T404 Y405 R414 A418	F381-M407 HydrophobicContact CD1-CG 3.91Å; F381-M407 HydrophobicContact CD2-CE 4.38Å; F381-M407 HydrophobicContact CE1-CB 4.44Å; F381-M407 HydrophobicContact CE1-CE 4.18Å; F381-M407 HydrophobicContact CE1-CG 3.43Å; F381-M407 VanDerWaalsContact CE1-CG 3.43Å; F381-M407 HydrophobicContact CE2-CE 3.58Å; F381-M407 HydrophobicContact CE2-CG 4.41Å; F381-M407 HydrophobicContact CZ-CE 3.46Å; F381-M407 VanDerWaalsContact CZ-CE 3.46Å; F381-M407 HydrophobicContact CZ-CG 3.74Å; F381-M407 HydrophobicContact CZ-SD 4.46Å; T404-M407 PolarHBondContact O-N 3.27Å; T404-M407 WeakPolarHBondContact OG1-CB 3.4Å; T404-M407 PolarHBondContact OG1-N 3.16Å; Y405-M407 PolarHBondContact O-N 3.42Å; M407-R414 PolarHBondContact O-NH2 2.85Å; M407-A418 HydrophobicContact CE-CB 3.78Å
408	I	88	Confident	86.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-43.3	179.1	-59.5	-171.6	0	0	0	111	L351 L353 T404 Y410 R414 M422 V449 I452 V453	L351-I408 HydrophobicContact CD2-CD1 4.18Å; L353-I408 HydrophobicContact CD2-CD1 3.23Å; L353-I408 HydrophobicContact CD2-CG1 4.4Å; T404-I408 PolarHBondContact O-N 3.02Å; I408-Y410 VanDerWaalsContact C-N 3.29Å; I408-Y410 PolarHBondContact O-N 3.22Å; I408-R414 PolarHBondContact O-NH2 3.14Å; I408-R414 VanDerWaalsContact O-NH2 3.13Å; I408-M422 HydrophobicContact CB-CE 4.47Å; I408-M422 HydrophobicContact CG1-SD 4.34Å; I408-M422 HydrophobicContact CG2-CE 3.91Å; I408-V449 HydrophobicContact CB-CG1 4.32Å; I408-V449 HydrophobicContact CB-CG2 4.23Å; I408-V449 HydrophobicContact CD1-CG1 4.42Å; I408-V449 HydrophobicContact CG2-CB 4.37Å; I408-V449 HydrophobicContact CG2-CG1 3.84Å; I408-V449 HydrophobicContact CG2-CG2 4.12Å; I408-I452 HydrophobicContact CG2-CG2 4.38Å; I408-V453 HydrophobicContact CG2-CG2 4.19Å
409	A	86.3	Confident	86.4	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-73.5	-17.1	-177.5	0	0	0	0	0	114.7	Y405 Q411 M445 R448 V449	Y405-A409 WeakPolarHBondContact O-CB 2.95Å; Y405-A409 PolarHBondContact O-N 3.33Å; A409-Q411 PolarHBondContact O-N 3.46Å; A409-M445 HydrophobicContact CB-CG 3.57Å; A409-M445 WeakPolarHBondContact CB-O 3.45Å; A409-M445 HydrophobicContact CB-SD 4.45Å; A409-R448 PolarHBondContact O-NH1 3.25Å; A409-V449 HydrophobicContact CB-CG2 3.9Å
410	Y	85.7	Confident	86.3	Confident	125 Å²	125	58 Å²	58	49%	0.49	28%	0.279	S	S	.	.			trans	-54.2	136.5	-175.9	-169	-111.3	0	0	0	112.5	S406 I408 G412 R414	S406-Y410 WeakPolarHBondContact O-CB 3.46Å; S406-Y410 PolarHBondContact O-N 3.41Å; S406-Y410 VanDerWaalsContact O-N 3.11Å; I408-Y410 VanDerWaalsContact C-N 3.29Å; I408-Y410 PolarHBondContact O-N 3.22Å; Y410-G412 WeakPolarHBondContact CE1-O 3.45Å; Y410-R414 HydrophobicContact CD1-CG 4.07Å; Y410-R414 VanDerWaalsContact O-CZ 3.24Å; Y410-R414 PolarHBondContact O-NH1 2.9Å; Y410-R414 PolarHBondContact O-NH2 2.95Å
411	Q	81.7	Confident	85.9	Confident	151 Å²	151	58.2 Å²	58.2	71%	0.706	28%	0.28	S	S	*	.			trans	-109.5	-10.9	178.3	-75.7	177.5	-36.6	0	0	113.6	A409 R448	A409-Q411 PolarHBondContact O-N 3.46Å; Q411-R448 VanDerWaalsContact CD-CZ 3.42Å; Q411-R448 VanDerWaalsContact CG-NH2 3.28Å
412	G	83.1	Confident	85.5	Confident	34 Å²	34	58.3 Å²	58.3	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	-74.4	-177.3	-178.3	0	0	0	0	0	112.5	Y410 R414	Y410-G412 WeakPolarHBondContact CE1-O 3.45Å; G412-R414 PolarHBondContact O-N 3.5Å
413	R	79.9	Confident	85.1	Confident	241 Å²	241	61.9 Å²	61.9	91%	0.909	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-65.5	121.2	174.6	-67.5	-176.6	179.7	178.4	-1.1	109.9
414	R	80.1	Confident	84.9	Confident	63 Å²	63	62.7 Å²	62.7	24%	0.238	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-87.6	159.8	172.7	-67.9	-175.5	173.6	94.3	-3.9	110.3	M407 I408 Y410 G412 A418 D419	M407-R414 PolarHBondContact O-NH2 2.85Å; I408-R414 PolarHBondContact O-NH2 3.14Å; I408-R414 VanDerWaalsContact O-NH2 3.13Å; Y410-R414 HydrophobicContact CD1-CG 4.07Å; Y410-R414 VanDerWaalsContact O-CZ 3.24Å; Y410-R414 PolarHBondContact O-NH1 2.9Å; Y410-R414 PolarHBondContact O-NH2 2.95Å; G412-R414 PolarHBondContact O-N 3.5Å; R414-A418 HydrophobicContact CB-CB 4.07Å; R414-D419 HydrophobicContact CB-CB 4.26Å
415	S	83.2	Confident	84.7	Confident	78 Å²	78	62.5 Å²	62.5	55%	0.545	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-62.4	154.1	161.8	55.2	0	0	0	0	109.3	D417 A418 D419	S415-D417 VanDerWaalsContact C-N 3.27Å; S415-D417 PolarHBondContact O-N 2.97Å; S415-A418 PolarHBondContact O-N 2.82Å; S415-A418 VanDerWaalsContact OG-CB 3.3Å; S415-A418 WeakPolarHBondContact OG-CB 3.34Å; S415-D419 PolarHBondContact O-N 3.05Å
416	Y	83.6	Confident	84.6	Confident	171 Å²	171	66.3 Å²	66.3	67%	0.671	32%	0.318	S	S	*	.	H	α-helix	trans	-52.2	-46.4	-180	177.2	-99.4	0	0	0	112.1	A418 D419 Q420	Y416-A418 VanDerWaalsContact C-N 3.33Å; Y416-A418 PolarHBondContact O-N 3.5Å; Y416-D419 PolarHBondContact O-N 3.27Å; Y416-Q420 HydrophobicContact CD1-CG 4.41Å; Y416-Q420 HydrophobicContact CE1-CG 4.05Å; Y416-Q420 HydrophobicContact CE2-CG 4.3Å; Y416-Q420 WeakPolarHBondContact O-CG 3.46Å; Y416-Q420 PolarHBondContact O-N 3.35Å; Y416-Q420 PolarHBondContact OH-NE2 3.17Å
417	D	81.7	Confident	84.5	Confident	120 Å²	120	69.5 Å²	69.5	64%	0.642	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-38.2	178.7	-61	-22	0	0	0	112.8	S415 M421	S415-D417 VanDerWaalsContact C-N 3.27Å; S415-D417 PolarHBondContact O-N 2.97Å; D417-M421 WeakPolarHBondContact O-CB 3.38Å; D417-M421 PolarHBondContact O-N 3.1Å
418	A	82.7	Confident	84.3	Confident	5 Å²	5	69.1 Å²	69.1	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-73.5	-32.5	179	0	0	0	0	0	112.4	F381 M407 R414 S415 Y416 M422	F381-A418 HydrophobicContact CE2-CB 4.15Å; F381-A418 HydrophobicContact CZ-CB 4.14Å; M407-A418 HydrophobicContact CE-CB 3.78Å; R414-A418 HydrophobicContact CB-CB 4.07Å; S415-A418 PolarHBondContact O-N 2.82Å; S415-A418 VanDerWaalsContact OG-CB 3.3Å; S415-A418 WeakPolarHBondContact OG-CB 3.34Å; Y416-A418 VanDerWaalsContact C-N 3.33Å; Y416-A418 PolarHBondContact O-N 3.5Å; A418-M422 WeakPolarHBondContact O-CB 3.46Å; A418-M422 WeakPolarHBondContact O-CG 2.84Å; A418-M422 PolarHBondContact O-N 3.4Å
419	D	85.4	Confident	84.2	Confident	67 Å²	67	70.1 Å²	70.1	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-43.4	174.6	-159.8	49.6	0	0	0	111.1	R414 S415 Y416 M421 M422 Q423	R414-D419 HydrophobicContact CB-CB 4.26Å; S415-D419 PolarHBondContact O-N 3.05Å; Y416-D419 PolarHBondContact O-N 3.27Å; D419-M421 VanDerWaalsContact C-N 3.35Å; D419-M421 PolarHBondContact O-N 2.84Å; D419-M422 PolarHBondContact O-N 2.95Å; D419-Q423 WeakPolarHBondContact O-CG 3.38Å; D419-Q423 PolarHBondContact O-N 3.37Å; D419-Q423 PolarHBondContact OD2-NE2 2.95Å
420	Q	84.5	Confident	84.4	Confident	63 Å²	63	70 Å²	70	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-41.4	174.9	-67.7	-71.3	33.2	0	0	112.3	I389 Y416 M422 Q423 W424	I389-Q420 HydrophobicContact CD1-CB 3.58Å; Y416-Q420 HydrophobicContact CD1-CG 4.41Å; Y416-Q420 HydrophobicContact CE1-CG 4.05Å; Y416-Q420 HydrophobicContact CE2-CG 4.3Å; Y416-Q420 WeakPolarHBondContact O-CG 3.46Å; Y416-Q420 PolarHBondContact O-N 3.35Å; Y416-Q420 PolarHBondContact OH-NE2 3.17Å; Q420-M422 VanDerWaalsContact C-N 3.33Å; Q420-M422 PolarHBondContact O-N 3.26Å; Q420-Q423 PolarHBondContact O-N 3.38Å; Q420-W424 PolarHBondContact O-N 2.93Å
421	M	83.5	Confident	84.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-39.1	176.3	-174.7	66.5	175.6	0	0	111.3	L379 F381 I389 D417 D419 W424 I425	L379-M421 HydrophobicContact CD1-CE 4.44Å; F381-M421 HydrophobicContact CB-CE 4.25Å; F381-M421 HydrophobicContact CD1-CG 4.26Å; F381-M421 HydrophobicContact CD2-CB 4.23Å; F381-M421 HydrophobicContact CD2-CG 3.62Å; F381-M421 HydrophobicContact CE1-CG 4.31Å; F381-M421 HydrophobicContact CE2-CB 3.79Å; F381-M421 HydrophobicContact CE2-CG 3.68Å; F381-M421 HydrophobicContact CG-CG 3.93Å; F381-M421 HydrophobicContact CZ-CB 4.07Å; F381-M421 HydrophobicContact CZ-CG 4.02Å; I389-M421 HydrophobicContact CD1-CB 4.27Å; I389-M421 HydrophobicContact CG1-CB 4.17Å; I389-M421 HydrophobicContact CG1-SD 3.7Å; D417-M421 WeakPolarHBondContact O-CB 3.38Å; D417-M421 PolarHBondContact O-N 3.1Å; D419-M421 VanDerWaalsContact C-N 3.35Å; D419-M421 PolarHBondContact O-N 2.84Å; M421-W424 HydrophobicContact CE-CE3 3.96Å; M421-W424 HydrophobicContact CE-CZ3 3.85Å; M421-W424 PolarHBondContact O-N 3.31Å; M421-W424 HydrophobicContact SD-CE3 3.89Å; M421-W424 HydrophobicContact SD-CZ3 4.36Å; M421-I425 HydrophobicContact CE-CD1 4.33Å; M421-I425 HydrophobicContact CE-CG1 4.48Å; M421-I425 HydrophobicContact CG-CD1 4.14Å; M421-I425 VanDerWaalsContact O-CG1 3.29Å; M421-I425 WeakPolarHBondContact O-CG1 3.28Å; M421-I425 PolarHBondContact O-N 3.07Å
422	M	85.5	Confident	85.1	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-42.5	176.5	-81.5	-54.8	-56	0	0	112.6	F381 I408 A418 D419 Q420 W424 I425 Q426 I452	F381-M422 HydrophobicContact CE1-CG 4.19Å; F381-M422 HydrophobicContact CE1-SD 3.75Å; F381-M422 HydrophobicContact CZ-CG 4.22Å; F381-M422 HydrophobicContact CZ-SD 4.37Å; I408-M422 HydrophobicContact CB-CE 4.47Å; I408-M422 HydrophobicContact CG1-SD 4.34Å; I408-M422 HydrophobicContact CG2-CE 3.91Å; A418-M422 WeakPolarHBondContact O-CB 3.46Å; A418-M422 WeakPolarHBondContact O-CG 2.84Å; A418-M422 PolarHBondContact O-N 3.4Å; D419-M422 PolarHBondContact O-N 2.95Å; Q420-M422 VanDerWaalsContact C-N 3.33Å; Q420-M422 PolarHBondContact O-N 3.26Å; M422-W424 VanDerWaalsContact C-N 3.29Å; M422-W424 PolarHBondContact O-N 3.17Å; M422-I425 PolarHBondContact O-N 2.75Å; M422-I425 HydrophobicContact SD-CD1 4.33Å; M422-Q426 VanDerWaalsContact O-CG 3.32Å; M422-Q426 WeakPolarHBondContact O-CG 3.39Å; M422-Q426 PolarHBondContact O-N 2.98Å; M422-I452 HydrophobicContact CE-CG2 4.1Å
423	Q	85.9	Confident	85.7	Confident	76 Å²	76	55.3 Å²	55.3	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-41.2	174.5	-69.4	176.8	23.5	0	0	111	D419 Q420 Q426 Q427	D419-Q423 WeakPolarHBondContact O-CG 3.38Å; D419-Q423 PolarHBondContact O-N 3.37Å; D419-Q423 PolarHBondContact OD2-NE2 2.95Å; Q420-Q423 PolarHBondContact O-N 3.38Å; Q423-Q426 PolarHBondContact O-N 3.07Å; Q423-Q427 VanDerWaalsContact O-CG 3.26Å; Q423-Q427 WeakPolarHBondContact O-CG 3.2Å; Q423-Q427 PolarHBondContact O-N 3.13Å; Q423-Q427 VanDerWaalsContact O-N 3.12Å
424	W	86.7	Confident	86.4	Confident	16 Å²	16	43.9 Å²	43.9	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-49.2	174.1	-179.7	80.5	0	0	0	111.8	L379 I389 P390 F399 Q420 M421 M422 Q426 Q427 Q428 W430	L379-W424 HydrophobicContact CD1-CH2 4.03Å; L379-W424 HydrophobicContact CD1-CZ3 4.3Å; I389-W424 HydrophobicContact CG2-CG 4.32Å; P390-W424 HydrophobicContact CG-CZ2 4.21Å; F399-W424 HydrophobicContact CB-CH2 4.47Å; F399-W424 HydrophobicContact CD2-CH2 4.33Å; F399-W424 HydrophobicContact CD2-CZ2 4.21Å; Q420-W424 PolarHBondContact O-N 2.93Å; M421-W424 HydrophobicContact CE-CE3 3.96Å; M421-W424 HydrophobicContact CE-CZ3 3.85Å; M421-W424 PolarHBondContact O-N 3.31Å; M421-W424 HydrophobicContact SD-CE3 3.89Å; M421-W424 HydrophobicContact SD-CZ3 4.36Å; M422-W424 VanDerWaalsContact C-N 3.29Å; M422-W424 PolarHBondContact O-N 3.17Å; W424-Q426 VanDerWaalsContact C-N 3.27Å; W424-Q426 PolarHBondContact O-N 3.06Å; W424-Q427 PolarHBondContact O-N 3.05Å; W424-Q428 HydrophobicContact CD2-CG 4.26Å; W424-Q428 HydrophobicContact CZ2-CG 4.15Å; W424-Q428 VanDerWaalsContact NE1-NE2 3.15Å; W424-Q428 WeakPolarHBondContact O-CG 3.14Å; W424-Q428 PolarHBondContact O-N 3.45Å; W424-W430 HydrophobicContact CH2-CH2 4.33Å; W424-W430 HydrophobicContact CZ3-CH2 4.18Å; W424-W430 HydrophobicContact CZ3-CZ2 4.31Å
425	I	87.4	Confident	87	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-38.9	179	-69.2	167.8	0	0	0	111.9	L351 F381 M421 M422 W430 V453	L351-I425 HydrophobicContact CD2-CG2 4.49Å; F381-I425 HydrophobicContact CD1-CD1 3.96Å; F381-I425 HydrophobicContact CE1-CD1 4.25Å; M421-I425 HydrophobicContact CE-CD1 4.33Å; M421-I425 HydrophobicContact CE-CG1 4.48Å; M421-I425 HydrophobicContact CG-CD1 4.14Å; M421-I425 VanDerWaalsContact O-CG1 3.29Å; M421-I425 WeakPolarHBondContact O-CG1 3.28Å; M421-I425 PolarHBondContact O-N 3.07Å; M422-I425 PolarHBondContact O-N 2.75Å; M422-I425 HydrophobicContact SD-CD1 4.33Å; I425-W430 HydrophobicContact CB-CZ2 4.45Å; I425-W430 HydrophobicContact CG1-CZ2 4.25Å; I425-W430 HydrophobicContact CG2-CZ2 4.12Å; I425-W430 PolarHBondContact O-NE1 2.65Å; I425-V453 HydrophobicContact CG2-CG2 4.15Å
426	Q	86.3	Confident	87.5	Confident	83 Å²	83	38 Å²	38	39%	0.388	18%	0.179	S	C	.	.	H	α-helix	trans	-71.3	-32.1	-179.9	-74.3	174.3	-6.5	0	0	113.5	M422 Q423 W424 I452	M422-Q426 VanDerWaalsContact O-CG 3.32Å; M422-Q426 WeakPolarHBondContact O-CG 3.39Å; M422-Q426 PolarHBondContact O-N 2.98Å; Q423-Q426 PolarHBondContact O-N 3.07Å; W424-Q426 VanDerWaalsContact C-N 3.27Å; W424-Q426 PolarHBondContact O-N 3.06Å; Q426-I452 HydrophobicContact CG-CG2 3.79Å
427	Q	85.7	Confident	87.6	Confident	126 Å²	126	30.4 Å²	30.4	59%	0.589	15%	0.149	S	C	*	.	H	α-helix	trans	-77.4	-27.1	179.8	-73.2	170.4	4.3	0	0	112.7	N163 Q423 W424	N163-Q427 PolarHBondContact ND2-O 3.01Å; Q423-Q427 VanDerWaalsContact O-CG 3.26Å; Q423-Q427 WeakPolarHBondContact O-CG 3.2Å; Q423-Q427 PolarHBondContact O-N 3.13Å; Q423-Q427 VanDerWaalsContact O-N 3.12Å; W424-Q427 PolarHBondContact O-N 3.05Å
428	Q	84.5	Confident	87.9	Confident	24 Å²	24	24.7 Å²	24.7	11%	0.112	12%	0.119	C	C	.	.	S	Bend	trans	-82.6	140.9	-178.8	-57	-45.2	-29.6	0	0	112.6	R349 W424	R349-Q428 VanDerWaalsContact NH1-CD 3.34Å; W424-Q428 HydrophobicContact CD2-CG 4.26Å; W424-Q428 HydrophobicContact CZ2-CG 4.15Å; W424-Q428 VanDerWaalsContact NE1-NE2 3.15Å; W424-Q428 WeakPolarHBondContact O-CG 3.14Å; W424-Q428 PolarHBondContact O-N 3.45Å
429	E	85.6	Confident	87.9	Confident	21 Å²	21	25.4 Å²	25.4	10%	0.098	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-78.6	126.8	164.1	-74.4	174.7	-153.2	0	0	110.5	E162 N163 N292 H456	E162-E429 VanDerWaalsContact CA-OE1 3.23Å; E162-E429 WeakPolarHBondContact CA-OE1 3.32Å; N163-E429 HydrophobicContact CB-CG 4.48Å; N163-E429 PolarHBondContact N-OE1 2.95Å; N163-E429 WeakPolarHBondContact OD1-CG 3.14Å; N292-E429 PolarHBondContact ND2-OE2 3.3Å; E429-H456 IonicContact OE2-CE1 3.64Å; E429-H456 IonicContact OE2-NE2 2.79Å; E429-H456 PolarHBondContact OE2-NE2 2.63Å
430	W	90	Very high	87.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.3	175.9	-61.8	89.3	0	0	0	110	R349 C350 L351 C401 W424 I425 L432 I433 V453 H454 S455 H456	R349-W430 HydrophobicContact CB-CE3 3.95Å; R349-W430 HydrophobicContact CB-CZ3 4.22Å; C350-W430 VanDerWaalsContact C-CZ3 3.44Å; C350-W430 VanDerWaalsContact O-CZ3 3.26Å; C350-W430 WeakPolarHBondContact O-CZ3 3.25Å; L351-W430 HydrophobicContact CB-CD2 3.71Å; L351-W430 HydrophobicContact CB-CE3 3.6Å; L351-W430 HydrophobicContact CB-CG 4.26Å; L351-W430 HydrophobicContact CB-CH2 4.36Å; L351-W430 HydrophobicContact CB-CZ2 4.46Å; L351-W430 HydrophobicContact CB-CZ3 3.94Å; L351-W430 HydrophobicContact CD1-CH2 4.41Å; L351-W430 HydrophobicContact CD1-CZ2 4.43Å; C401-W430 HydrophobicContact CB-CH2 3.42Å; C401-W430 VanDerWaalsContact CB-CH2 3.42Å; C401-W430 HydrophobicContact CB-CZ2 4.35Å; C401-W430 HydrophobicContact CB-CZ3 3.94Å; W424-W430 HydrophobicContact CH2-CH2 4.33Å; W424-W430 HydrophobicContact CZ3-CH2 4.18Å; W424-W430 HydrophobicContact CZ3-CZ2 4.31Å; I425-W430 HydrophobicContact CB-CZ2 4.45Å; I425-W430 HydrophobicContact CG1-CZ2 4.25Å; I425-W430 HydrophobicContact CG2-CZ2 4.12Å; I425-W430 PolarHBondContact O-NE1 2.65Å; W430-L432 VanDerWaalsContact C-N 3.33Å; W430-I433 HydrophobicContact CB-CG1 4.35Å; W430-V453 HydrophobicContact CG-CG1 4.09Å; W430-H454 PolarHBondContact N-O 3.01Å; W430-S455 CarbonylContact O-C 3.54Å; W430-S455 WeakPolarHBondContact O-CA 3.4Å; W430-S455 WeakPolarHBondContact O-CB 3.47Å; W430-H456 PolarHBondContact O-CD2 3.04Å; W430-H456 PolarHBondContact O-N 3.12Å
431	G	89.6	Confident	87.7	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-36.3	175.2	0	0	0	0	0	111.9	R349 C457	R349-G431 PolarHBondContact O-N 3.24Å; G431-C457 WeakPolarHBondContact O-CB 3.41Å; G431-C457 PolarHBondContact O-N 3.08Å
432	L	92.9	Very high	87.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.7	178.7	-174.4	65.5	0	0	0	111.5	M316 A342 C343 V346 R349 C350 L351 W430 V434 C457 L459	M316-L432 HydrophobicContact CE-CD1 3.9Å; A342-L432 HydrophobicContact CB-CD2 4.14Å; C343-L432 HydrophobicContact CB-CD2 4.4Å; V346-L432 HydrophobicContact CG1-CB 4.48Å; V346-L432 HydrophobicContact CG2-CD2 4.46Å; R349-L432 PolarHBondContact O-N 3Å; C350-L432 VanDerWaalsContact CA-O 3.27Å; C350-L432 WeakPolarHBondContact CA-O 3.26Å; L351-L432 PolarHBondContact N-O 3.31Å; W430-L432 VanDerWaalsContact C-N 3.33Å; L432-V434 HydrophobicContact CD2-CG2 3.83Å; L432-V434 HydrophobicContact CG-CG2 4.03Å; L432-C457 CarbonylContact C-O 3.52Å; L432-C457 WeakPolarHBondContact CA-O 3.43Å; L432-C457 HydrophobicContact CD1-CB 4.02Å; L432-L459 HydrophobicContact CD1-CB 3.95Å
433	I	94.3	Very high	87.2	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.3	161.6	-62.6	-178.8	0	0	0	108.5	L351 L353 W430 L435 V453 S455 C457 L459	L351-I433 HydrophobicContact CB-CG1 4.33Å; L351-I433 CarbonylContact O-C 3.58Å; L351-I433 VanDerWaalsContact O-CA 3.31Å; L351-I433 WeakPolarHBondContact O-CA 3.43Å; L353-I433 HydrophobicContact CD1-CG2 3.98Å; L353-I433 HydrophobicContact CG-CG2 4.38Å; W430-I433 HydrophobicContact CB-CG1 4.35Å; I433-L435 HydrophobicContact CG2-CD2 3.69Å; I433-L435 HydrophobicContact CG2-CG 3.86Å; I433-V453 HydrophobicContact CD1-CB 4.02Å; I433-V453 HydrophobicContact CD1-CG1 3.62Å; I433-V453 HydrophobicContact CG1-CG1 4.46Å; I433-S455 VanDerWaalsContact CD1-OG 3.29Å; I433-S455 WeakPolarHBondContact CD1-OG 3.25Å; I433-S455 VanDerWaalsContact CG1-CB 3.45Å; I433-C457 PolarHBondContact N-O 3.41Å; I433-L459 PolarHBondContact O-N 2.75Å
434	V	95.3	Very high	86.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.5	171.8	-179.1	0	0	0	0	108.8	L351 C352 L353 W363 L432 L459 L461	L351-V434 PolarHBondContact O-N 3.03Å; C352-V434 CarbonylContact C-O 3.26Å; C352-V434 WeakPolarHBondContact CA-O 3.45Å; C352-V434 HydrophobicContact CB-CB 4.42Å; L353-V434 PolarHBondContact N-O 3.37Å; W363-V434 HydrophobicContact CH2-CG1 3.83Å; W363-V434 HydrophobicContact CZ2-CG1 4.29Å; W363-V434 HydrophobicContact CZ3-CG1 4.38Å; L432-V434 HydrophobicContact CD2-CG2 3.83Å; L432-V434 HydrophobicContact CG-CG2 4.03Å; V434-L459 WeakPolarHBondContact CA-O 3.31Å; V434-L461 HydrophobicContact CG1-CD1 3.72Å; V434-L461 HydrophobicContact CG1-CG 4.38Å
435	L	93.8	Very high	86.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.8	-179.4	-60.8	163	0	0	0	108.8	L353 Y405 I433 V438 I441 L450 L459 L461 I479	L353-L435 HydrophobicContact CB-CD2 4.21Å; L353-L435 HydrophobicContact CD1-CD2 3.63Å; L353-L435 HydrophobicContact CG-CD2 4.38Å; Y405-L435 HydrophobicContact CE1-CD2 3.79Å; Y405-L435 WeakPolarHBondContact OH-CA 3.38Å; Y405-L435 WeakPolarHBondContact OH-CB 3.46Å; I433-L435 HydrophobicContact CG2-CD2 3.69Å; I433-L435 HydrophobicContact CG2-CG 3.86Å; L435-V438 HydrophobicContact CB-CG2 4.21Å; L435-V438 VanDerWaalsContact O-CG2 3.27Å; L435-V438 WeakPolarHBondContact O-CG2 3.45Å; L435-I441 HydrophobicContact CB-CD1 3.87Å; L435-I441 HydrophobicContact CD1-CD1 3.65Å; L435-I441 HydrophobicContact CD2-CD1 3.79Å; L435-I441 HydrophobicContact CG-CD1 3.96Å; L435-L450 HydrophobicContact CD1-CD2 4.06Å; L435-L450 HydrophobicContact CD2-CD2 4.28Å; L435-L459 PolarHBondContact N-O 3.06Å; L435-L461 PolarHBondContact O-N 2.71Å; L435-I479 HydrophobicContact CD1-CD1 3.58Å; L435-I479 HydrophobicContact CD1-CG1 3.83Å; L435-I479 HydrophobicContact CD1-CG2 4.44Å
436	D	91.9	Very high	86.1	Confident	17 Å²	17	32.4 Å²	32.4	9%	0.091	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.7	174.8	-164.7	15.4	0	0	0	110.6	L353 W363 Y405 V438	L353-D436 WeakPolarHBondContact O-CB 3.5Å; L353-D436 PolarHBondContact O-N 3.3Å; W363-D436 HydrophobicContact CZ2-CB 4.28Å; W363-D436 PolarHBondContact NE1-OD2 3.03Å; Y405-D436 WeakPolarHBondContact CE2-O 3.46Å; Y405-D436 PolarHBondContact OH-N 2.96Å; Y405-D436 PolarHBondContact OH-O 3.29Å; D436-V438 VanDerWaalsContact C-N 3.29Å; D436-V438 PolarHBondContact O-N 3.19Å
437	E	86.8	Confident	85.9	Confident	11 Å²	11	31.1 Å²	31.1	5%	0.051	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	46.8	-177.1	-64.5	-65.9	-175.4	0	0	113.1	N355 H439 T440 L461 Q633 R637	N355-E437 VanDerWaalsContact ND2-CB 3.28Å; N355-E437 WeakPolarHBondContact ND2-CB 3.38Å; E437-H439 VanDerWaalsContact CB-CE1 3.46Å; E437-H439 WeakPolarHBondContact CB-CE1 3.11Å; E437-H439 PolarHBondContact O-N 3.26Å; E437-H439 PolarHBondContact O-ND1 3.19Å; E437-H439 VanDerWaalsContact O-ND1 3.15Å; E437-H439 IonicContact OE2-CE1 3.48Å; E437-H439 PolarHBondContact OE2-CE1 2.87Å; E437-H439 IonicContact OE2-ND1 3.87Å; E437-H439 PolarHBondContact OE2-ND1 3.02Å; E437-T440 PolarHBondContact O-N 3.09Å; E437-T440 PolarHBondContact O-OG1 3.34Å; E437-T440 VanDerWaalsContact O-OG1 3.09Å; E437-L461 PolarHBondContact N-O 3.3Å; E437-Q633 PolarHBondContact OE2-NE2 3.44Å; E437-Q633 VanDerWaalsContact OE2-NE2 3.1Å; E437-R637 IonicContact OE1-NH2 3.27Å; E437-R637 PolarHBondContact OE1-NH2 3.08Å
438	V	87.7	Confident	85.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-40.2	-33.8	-175.6	-168.2	0	0	0	0	116	L435 D436 T440 I441 L461 L475 I479	L435-V438 HydrophobicContact CB-CG2 4.21Å; L435-V438 VanDerWaalsContact O-CG2 3.27Å; L435-V438 WeakPolarHBondContact O-CG2 3.45Å; D436-V438 VanDerWaalsContact C-N 3.29Å; D436-V438 PolarHBondContact O-N 3.19Å; V438-T440 PolarHBondContact O-N 3.13Å; V438-I441 HydrophobicContact CB-CD1 4.42Å; V438-I441 HydrophobicContact CG1-CD1 3.84Å; V438-I441 WeakPolarHBondContact O-CB 3.43Å; V438-I441 VanDerWaalsContact O-CG1 3.27Å; V438-I441 WeakPolarHBondContact O-CG1 3.41Å; V438-I441 PolarHBondContact O-N 2.91Å; V438-L461 WeakPolarHBondContact CG2-O 3.24Å; V438-L475 HydrophobicContact CB-CD1 4.25Å; V438-L475 HydrophobicContact CG1-CD1 3.58Å; V438-L475 HydrophobicContact CG1-CD2 4.02Å; V438-L475 HydrophobicContact CG1-CG 3.86Å; V438-I479 HydrophobicContact CG1-CD1 3.08Å
439	H	83.3	Confident	85.9	Confident	21 Å²	21	27.8 Å²	27.8	10%	0.097	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-56.3	-19.2	-179.3	64.2	-106.7	0	0	0	114.5	E437 I441 P442 T462 R467 R629 Q633	E437-H439 VanDerWaalsContact CB-CE1 3.46Å; E437-H439 WeakPolarHBondContact CB-CE1 3.11Å; E437-H439 PolarHBondContact O-N 3.26Å; E437-H439 PolarHBondContact O-ND1 3.19Å; E437-H439 VanDerWaalsContact O-ND1 3.15Å; E437-H439 IonicContact OE2-CE1 3.48Å; E437-H439 PolarHBondContact OE2-CE1 2.87Å; E437-H439 IonicContact OE2-ND1 3.87Å; E437-H439 PolarHBondContact OE2-ND1 3.02Å; H439-I441 VanDerWaalsContact C-N 3.34Å; H439-P442 WeakPolarHBondContact O-CD 3.32Å; H439-T462 PolarHBondContact ND1-OG1 3.47Å; H439-R467 PolarHBondContact O-NH1 3.49Å; H439-R629 VanDerWaalsContact CB-CZ 3.41Å; H439-R629 PolarHBondContact CD2-NE 2.97Å; H439-R629 VanDerWaalsContact CD2-NE 3.3Å; H439-R629 PolarHBondContact CD2-NH1 3.2Å; H439-R629 PolarHBondContact CD2-NH2 3.41Å; H439-R629 VanDerWaalsContact CD2-NH2 3.31Å; H439-R629 PolarHBondContact CE1-NE 2.99Å; H439-R629 PolarHBondContact CE1-NH2 3.12Å; H439-R629 VanDerWaalsContact CE1-NH2 3.27Å; H439-R629 VanDerWaalsContact ND1-CZ 3.29Å; H439-R629 PolarHBondContact ND1-NH2 3.09Å; H439-R629 PolarHBondContact NE2-NE 3.1Å; H439-Q633 PolarHBondContact CE1-NE2 2.81Å
440	T	82.1	Confident	85.9	Confident	26 Å²	26	27.5 Å²	27.5	16%	0.16	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-73.1	-28.5	175.2	58.8	0	0	0	0	111.7	N355 E437 V438 A443 F446 R467	N355-T440 PolarHBondContact OD1-OG1 2.98Å; E437-T440 PolarHBondContact O-N 3.09Å; E437-T440 PolarHBondContact O-OG1 3.34Å; E437-T440 VanDerWaalsContact O-OG1 3.09Å; V438-T440 PolarHBondContact O-N 3.13Å; T440-A443 VanDerWaalsContact O-CB 3.3Å; T440-A443 WeakPolarHBondContact O-CB 3.43Å; T440-A443 PolarHBondContact O-N 3.23Å; T440-A443 VanDerWaalsContact O-N 3.07Å; T440-F446 WeakPolarHBondContact O-CD2 3.47Å; T440-R467 PolarHBondContact O-NH1 2.96Å
441	I	82.7	Confident	85.6	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.6	-169	-66.3	174	0	0	0	115.5	Y405 L435 V438 H439 A443 R447 L450 L478 I479	Y405-I441 HydrophobicContact CE1-CD1 4.25Å; Y405-I441 HydrophobicContact CE1-CG1 4.11Å; L435-I441 HydrophobicContact CB-CD1 3.87Å; L435-I441 HydrophobicContact CD1-CD1 3.65Å; L435-I441 HydrophobicContact CD2-CD1 3.79Å; L435-I441 HydrophobicContact CG-CD1 3.96Å; V438-I441 HydrophobicContact CB-CD1 4.42Å; V438-I441 HydrophobicContact CG1-CD1 3.84Å; V438-I441 WeakPolarHBondContact O-CB 3.43Å; V438-I441 VanDerWaalsContact O-CG1 3.27Å; V438-I441 WeakPolarHBondContact O-CG1 3.41Å; V438-I441 PolarHBondContact O-N 2.91Å; H439-I441 VanDerWaalsContact C-N 3.34Å; I441-A443 PolarHBondContact O-N 2.66Å; I441-R447 PolarHBondContact O-N 3.04Å; I441-R447 VanDerWaalsContact O-N 3.12Å; I441-L450 HydrophobicContact CG2-CD1 3.87Å; I441-L478 HydrophobicContact CG2-CD1 4.32Å; I441-I479 HydrophobicContact CD1-CD1 3.86Å
442	P	77.9	Confident	85.4	Confident	8 Å²	8	31.7 Å²	31.7	5%	0.052	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-7.5	177.8	-19.3	24.3	0	0	0	114.7	H439 R467 K471	H439-P442 WeakPolarHBondContact O-CD 3.32Å; P442-R467 VanDerWaalsContact CB-NH1 3.3Å; P442-K471 HydrophobicContact CB-CB 4.01Å
443	A	81	Confident	85	Confident	33 Å²	33	31.7 Å²	31.7	27%	0.273	16%	0.155	S	C	.	.	S	Bend	trans	-63.3	136.2	167.4	0	0	0	0	0	111.3	T440 I441 M445 F446 R447	T440-A443 VanDerWaalsContact O-CB 3.3Å; T440-A443 WeakPolarHBondContact O-CB 3.43Å; T440-A443 PolarHBondContact O-N 3.23Å; T440-A443 VanDerWaalsContact O-N 3.07Å; I441-A443 PolarHBondContact O-N 2.66Å; A443-M445 PolarHBondContact O-N 3.09Å; A443-F446 HydrophobicContact CB-CD2 4.1Å; A443-F446 PolarHBondContact O-N 3.3Å; A443-R447 PolarHBondContact O-N 3.49Å
444	K	79.5	Confident	84.6	Confident	154 Å²	154	33.5 Å²	33.5	67%	0.67	16%	0.163	S	C	*	.	H	α-helix	trans	-50.2	-38.2	-175.9	-66.8	-175.7	178.9	-178.3	0	113.8
445	M	77.4	Confident	84.2	Confident	108 Å²	108	33.8 Å²	33.8	53%	0.532	17%	0.165	S	C	.	.	H	α-helix	trans	-65.1	-45.9	178.4	-173.1	-173.6	-61.5	0	0	111.5	A409 A443	A409-M445 HydrophobicContact CB-CG 3.57Å; A409-M445 WeakPolarHBondContact CB-O 3.45Å; A409-M445 HydrophobicContact CB-SD 4.45Å; A443-M445 PolarHBondContact O-N 3.09Å
446	F	80.4	Confident	83.9	Confident	44 Å²	44	34.6 Å²	34.6	19%	0.193	17%	0.169	C	C	.	.	H	α-helix	trans	-82.1	-29.7	-173.9	-59.6	-28.3	0	0	0	113.3	Y405 T440 A443 R448 V449	Y405-F446 VanDerWaalsContact CB-CD1 3.4Å; Y405-F446 VanDerWaalsContact CB-CE1 3.44Å; Y405-F446 HydrophobicContact CG-CD1 4.24Å; Y405-F446 HydrophobicContact CG-CE1 4.46Å; Y405-F446 HydrophobicContact CG-CG 4.42Å; T440-F446 WeakPolarHBondContact O-CD2 3.47Å; A443-F446 HydrophobicContact CB-CD2 4.1Å; A443-F446 PolarHBondContact O-N 3.3Å; F446-R448 PolarHBondContact O-N 3.31Å; F446-V449 VanDerWaalsContact O-CB 3.26Å; F446-V449 WeakPolarHBondContact O-CB 3.45Å; F446-V449 WeakPolarHBondContact O-CG2 3.41Å; F446-V449 PolarHBondContact O-N 3.26Å
447	R	82.5	Confident	83.8	Confident	55 Å²	55	33.8 Å²	33.8	21%	0.208	16%	0.164	C	C	.	.	H	α-helix	trans	-52.1	-39.8	171.3	-173.8	175.2	-179.4	156.8	0.3	112	E267 I441 A443 V449 L450 L478	E267-R447 VanDerWaalsContact CD-CZ 3.46Å; E267-R447 IonicContact OE1-CZ 3.03Å; E267-R447 IonicContact OE1-NE 3.32Å; E267-R447 PolarHBondContact OE1-NE 3.19Å; E267-R447 VanDerWaalsContact OE1-NE 3.09Å; E267-R447 IonicContact OE1-NH2 2.7Å; E267-R447 PolarHBondContact OE1-NH2 2.98Å; E267-R447 IonicContact OE2-CZ 3.86Å; E267-R447 IonicContact OE2-NE 3.26Å; E267-R447 PolarHBondContact OE2-NE 2.69Å; E267-R447 IonicContact OE2-NH2 3.11Å; I441-R447 PolarHBondContact O-N 3.04Å; I441-R447 VanDerWaalsContact O-N 3.12Å; A443-R447 PolarHBondContact O-N 3.49Å; R447-V449 PolarHBondContact O-N 3.29Å; R447-V449 VanDerWaalsContact O-N 3.17Å; R447-L450 PolarHBondContact O-N 3.23Å; R447-L450 VanDerWaalsContact O-N 3.17Å; R447-L478 HydrophobicContact CG-CD1 4.3Å; R447-L478 HydrophobicContact CG-CD2 3.99Å
448	R	84.1	Confident	84	Confident	80 Å²	80	34.6 Å²	34.6	30%	0.302	17%	0.168	S	C	.	.	H	α-helix	trans	-61.1	-24.7	178.7	-69	177.1	61	-121.1	-10.2	113.7	A409 Q411 F446 L450 T451 I452	A409-R448 PolarHBondContact O-NH1 3.25Å; Q411-R448 VanDerWaalsContact CD-CZ 3.42Å; Q411-R448 VanDerWaalsContact CG-NH2 3.28Å; F446-R448 PolarHBondContact O-N 3.31Å; R448-L450 VanDerWaalsContact C-N 3.25Å; R448-L450 PolarHBondContact O-N 3.14Å; R448-T451 PolarHBondContact O-N 3.31Å; R448-T451 VanDerWaalsContact O-N 3.16Å; R448-I452 VanDerWaalsContact O-CG1 3.25Å; R448-I452 WeakPolarHBondContact O-CG1 3.49Å; R448-I452 PolarHBondContact O-N 2.92Å
449	V	86.1	Confident	84.4	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-37.4	178.5	178.3	0	0	0	0	111.1	L353 I408 A409 F446 R447 T451 I452 V453	L353-V449 HydrophobicContact CD1-CG1 3.38Å; I408-V449 HydrophobicContact CB-CG1 4.32Å; I408-V449 HydrophobicContact CB-CG2 4.23Å; I408-V449 HydrophobicContact CD1-CG1 4.42Å; I408-V449 HydrophobicContact CG2-CB 4.37Å; I408-V449 HydrophobicContact CG2-CG1 3.84Å; I408-V449 HydrophobicContact CG2-CG2 4.12Å; A409-V449 HydrophobicContact CB-CG2 3.9Å; F446-V449 VanDerWaalsContact O-CB 3.26Å; F446-V449 WeakPolarHBondContact O-CB 3.45Å; F446-V449 WeakPolarHBondContact O-CG2 3.41Å; F446-V449 PolarHBondContact O-N 3.26Å; R447-V449 PolarHBondContact O-N 3.29Å; R447-V449 VanDerWaalsContact O-N 3.17Å; V449-T451 VanDerWaalsContact C-N 3.27Å; V449-T451 PolarHBondContact O-N 3.19Å; V449-I452 PolarHBondContact O-N 3.49Å; V449-V453 HydrophobicContact CG1-CG2 4.48Å; V449-V453 PolarHBondContact O-N 3.46Å; V449-V453 VanDerWaalsContact O-N 3.08Å
450	L	84.5	Confident	84.9	Confident	14 Å²	14	33.6 Å²	33.6	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-72.2	-20.6	178.6	-60.7	177.6	0	0	0	113.4	L435 I441 R447 R448 K458 L478 I479	L435-L450 HydrophobicContact CD1-CD2 4.06Å; L435-L450 HydrophobicContact CD2-CD2 4.28Å; I441-L450 HydrophobicContact CG2-CD1 3.87Å; R447-L450 PolarHBondContact O-N 3.23Å; R447-L450 VanDerWaalsContact O-N 3.17Å; R448-L450 VanDerWaalsContact C-N 3.25Å; R448-L450 PolarHBondContact O-N 3.14Å; L450-K458 HydrophobicContact CD2-CD 4.31Å; L450-L478 HydrophobicContact CD1-CB 3.84Å; L450-L478 HydrophobicContact CD1-CD2 4.37Å; L450-I479 HydrophobicContact CD1-CG1 4.28Å
451	T	83.2	Confident	85.4	Confident	59 Å²	59	32.3 Å²	32.3	36%	0.362	16%	0.155	S	C	.	.	H	α-helix	trans	-85.3	-33.2	173.9	-40.9	0	0	0	0	111.6	R448 V449	R448-T451 PolarHBondContact O-N 3.31Å; R448-T451 VanDerWaalsContact O-N 3.16Å; V449-T451 VanDerWaalsContact C-N 3.27Å; V449-T451 PolarHBondContact O-N 3.19Å
452	I	85.5	Confident	85.7	Confident	31 Å²	31	32.2 Å²	32.2	16%	0.159	16%	0.155	C	C	.	.	H	α-helix	trans	-77.5	-37.9	-177.3	-68	168.9	0	0	0	111.5	I408 M422 Q426 R448 V449	I408-I452 HydrophobicContact CG2-CG2 4.38Å; M422-I452 HydrophobicContact CE-CG2 4.1Å; Q426-I452 HydrophobicContact CG-CG2 3.79Å; R448-I452 VanDerWaalsContact O-CG1 3.25Å; R448-I452 WeakPolarHBondContact O-CG1 3.49Å; R448-I452 PolarHBondContact O-N 2.92Å; V449-I452 PolarHBondContact O-N 3.49Å
453	V	85.9	Confident	86	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-102.7	117.4	-175.6	-173.2	0	0	0	0	109.9	L351 I408 I425 W430 I433 V449	L351-V453 HydrophobicContact CD2-CB 4.31Å; L351-V453 HydrophobicContact CD2-CG1 3.64Å; L351-V453 HydrophobicContact CD2-CG2 3.93Å; I408-V453 HydrophobicContact CG2-CG2 4.19Å; I425-V453 HydrophobicContact CG2-CG2 4.15Å; W430-V453 HydrophobicContact CG-CG1 4.09Å; I433-V453 HydrophobicContact CD1-CB 4.02Å; I433-V453 HydrophobicContact CD1-CG1 3.62Å; I433-V453 HydrophobicContact CG1-CG1 4.46Å; V449-V453 HydrophobicContact CG1-CG2 4.48Å; V449-V453 PolarHBondContact O-N 3.46Å; V449-V453 VanDerWaalsContact O-N 3.08Å
454	H	84.1	Confident	85.7	Confident	39 Å²	39	30.9 Å²	30.9	18%	0.181	14%	0.144	C	C	.	.			trans	-80.2	126.4	174	-56.7	107.3	0	0	0	110.4	Y165 W430	Y165-H454 AromaticContact CE2-CD2 3.77Å; W430-H454 PolarHBondContact N-O 3.01Å
455	S	87.5	Confident	85.5	Confident	6 Å²	6	25.2 Å²	25.2	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.7	178.8	64.9	0	0	0	0	112.8	W430 I433	W430-S455 CarbonylContact O-C 3.54Å; W430-S455 WeakPolarHBondContact O-CA 3.4Å; W430-S455 WeakPolarHBondContact O-CB 3.47Å; I433-S455 VanDerWaalsContact CD1-OG 3.29Å; I433-S455 WeakPolarHBondContact CD1-OG 3.25Å; I433-S455 VanDerWaalsContact CG1-CB 3.45Å
456	H	87	Confident	85	Confident	18 Å²	18	22.2 Å²	22.2	8%	0.083	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-49.7	174.7	-60.2	-91.8	0	0	0	112.1	L160 Y284 N292 E429 W430	L160-H456 PolarHBondContact O-CE1 3.13Å; L160-H456 PolarHBondContact O-ND1 3.25Å; Y284-H456 HydrophobicContact CD1-CB 3.76Å; Y284-H456 HydrophobicContact CD2-CB 3.36Å; Y284-H456 AromaticContact CD2-CG 3.55Å; Y284-H456 AromaticContact CD2-ND1 3.64Å; Y284-H456 HydrophobicContact CE1-CB 4.12Å; Y284-H456 HydrophobicContact CE2-CB 3.77Å; Y284-H456 AromaticContact CE2-CD2 3.92Å; Y284-H456 AromaticContact CE2-CG 3.49Å; Y284-H456 VanDerWaalsContact CE2-CG 3.49Å; Y284-H456 AromaticContact CE2-ND1 3.56Å; Y284-H456 HydrophobicContact CG-CB 3.37Å; Y284-H456 AromaticContact CZ-CG 3.95Å; N292-H456 PolarHBondContact ND2-NE2 3Å; E429-H456 IonicContact OE2-CE1 3.64Å; E429-H456 IonicContact OE2-NE2 2.79Å; E429-H456 PolarHBondContact OE2-NE2 2.63Å; W430-H456 PolarHBondContact O-CD2 3.04Å; W430-H456 PolarHBondContact O-N 3.12Å
457	C	90.2	Very high	84.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	-177.9	-171.3	0	0	0	0	111.7	Y284 A322 S324 G431 L432 I433	Y284-C457 HydrophobicContact CD1-CB 4.34Å; A322-C457 HydrophobicContact CB-CB 4.49Å; S324-C457 WeakPolarHBondContact OG-CA 3.34Å; G431-C457 WeakPolarHBondContact O-CB 3.41Å; G431-C457 PolarHBondContact O-N 3.08Å; L432-C457 CarbonylContact C-O 3.52Å; L432-C457 WeakPolarHBondContact CA-O 3.43Å; L432-C457 HydrophobicContact CD1-CB 4.02Å; I433-C457 PolarHBondContact N-O 3.41Å
458	K	92.5	Very high	83.8	Confident	27 Å²	27	24.7 Å²	24.7	12%	0.117	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.7	176.6	-60	169.9	-179.7	172.2	0	109.5	S324 G325 L450 L478 I479	S324-K458 CarbonylContact C-O 3.58Å; S324-K458 VanDerWaalsContact CA-O 3.24Å; S324-K458 WeakPolarHBondContact CA-O 3.49Å; S324-K458 WeakPolarHBondContact CB-O 3.11Å; S324-K458 PolarHBondContact OG-N 3.05Å; G325-K458 PolarHBondContact N-O 3.49Å; L450-K458 HydrophobicContact CD2-CD 4.31Å; K458-L478 PolarHBondContact NZ-O 2.78Å; K458-L478 VanDerWaalsContact NZ-O 3.16Å; K458-I479 HydrophobicContact CB-CG2 3.94Å
459	L	94.4	Very high	83.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117	174.3	175.1	60.3	0	0	0	110	M316 I327 A342 L432 I433 V434 L435 L461	M316-L459 HydrophobicContact CE-CB 4.08Å; M316-L459 HydrophobicContact CE-CD1 4.34Å; M316-L459 HydrophobicContact CE-CD2 4.18Å; M316-L459 HydrophobicContact CE-CG 4.42Å; M316-L459 HydrophobicContact SD-CD1 3.84Å; M316-L459 HydrophobicContact SD-CD2 3.99Å; M316-L459 HydrophobicContact SD-CG 4.36Å; I327-L459 HydrophobicContact CB-CD1 4.5Å; I327-L459 HydrophobicContact CD1-CD1 3.77Å; I327-L459 HydrophobicContact CG1-CD1 3.98Å; A342-L459 HydrophobicContact CB-CD2 3.71Å; L432-L459 HydrophobicContact CD1-CB 3.95Å; I433-L459 PolarHBondContact O-N 2.75Å; V434-L459 WeakPolarHBondContact CA-O 3.31Å; L435-L459 PolarHBondContact N-O 3.06Å; L459-L461 HydrophobicContact CD1-CD2 4.31Å; L459-L461 HydrophobicContact CD2-CD2 4.28Å; L459-L461 HydrophobicContact CD2-CG 4.5Å; L459-L461 HydrophobicContact CG-CD2 4.22Å; L459-L461 HydrophobicContact CG-CG 4.32Å
460	G	93.5	Very high	82.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.4	172	0	0	0	0	0	112.9	G325 V326 I327	G325-G460 PolarHBondContact O-N 3.22Å; V326-G460 CarbonylContact C-O 3.57Å; V326-G460 WeakPolarHBondContact CA-O 2.92Å; I327-G460 PolarHBondContact N-O 2.86Å
461	L	93.2	Very high	81.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.2	173.3	-61	175.3	0	0	0	110.9	I327 V338 W363 V434 L435 E437 V438 L459	I327-L461 HydrophobicContact CB-CD2 4.08Å; I327-L461 HydrophobicContact CG2-CD2 4.4Å; V338-L461 HydrophobicContact CG1-CD2 4.35Å; W363-L461 HydrophobicContact CH2-CD1 3.58Å; W363-L461 HydrophobicContact CZ2-CD1 3.94Å; V434-L461 HydrophobicContact CG1-CD1 3.72Å; V434-L461 HydrophobicContact CG1-CG 4.38Å; L435-L461 PolarHBondContact O-N 2.71Å; E437-L461 PolarHBondContact N-O 3.3Å; V438-L461 WeakPolarHBondContact CG2-O 3.24Å; L459-L461 HydrophobicContact CD1-CD2 4.31Å; L459-L461 HydrophobicContact CD2-CD2 4.28Å; L459-L461 HydrophobicContact CD2-CG 4.5Å; L459-L461 HydrophobicContact CG-CD2 4.22Å; L459-L461 HydrophobicContact CG-CG 4.32Å
462	T	90	Very high	81.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.4	178.5	-173	0	0	0	0	112.2	V326 I327 V328 L329 H439 T464 L465	V326-T462 HydrophobicContact CG1-CG2 4.09Å; I327-T462 PolarHBondContact O-N 3.04Å; V328-T462 CarbonylContact C-O 3.52Å; V328-T462 VanDerWaalsContact CA-O 3.31Å; V328-T462 WeakPolarHBondContact CA-O 3.34Å; V328-T462 HydrophobicContact CB-CG2 4.47Å; V328-T462 HydrophobicContact CG1-CG2 4.37Å; V328-T462 HydrophobicContact CG2-CG2 3.94Å; L329-T462 PolarHBondContact N-O 2.88Å; H439-T462 PolarHBondContact ND1-OG1 3.47Å; T462-T464 PolarHBondContact OG1-N 3.45Å; T462-T464 PolarHBondContact OG1-O 2.94Å; T462-L465 HydrophobicContact CG2-CD2 3.77Å; T462-L465 HydrophobicContact CG2-CG 4.09Å
463	A	83.2	Confident	80.4	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.025	17%	0.174	C	C	.	.	S	Bend	trans	-78.3	-36.1	170.8	0	0	0	0	0	113.1	L329 K335 Q633	L329-A463 VanDerWaalsContact O-CA 3.32Å; L329-A463 WeakPolarHBondContact O-CA 3.47Å; K335-A463 VanDerWaalsContact NZ-CB 3.26Å; A463-Q633 HydrophobicContact CB-CG 4.01Å
464	T	75.6	Confident	79.9	Confident	10 Å²	10	36.1 Å²	36.1	6%	0.061	18%	0.183	C	C	.	.			trans	-146.2	137	-168.8	48.5	0	0	0	0	108.7	T462 R629 Q633	T462-T464 PolarHBondContact OG1-N 3.45Å; T462-T464 PolarHBondContact OG1-O 2.94Å; T464-R629 PolarHBondContact O-NH2 2.83Å; T464-R629 WeakPolarHBondContact OG1-CG 3.35Å; T464-R629 PolarHBondContact OG1-NH2 3.46Å; T464-Q633 PolarHBondContact OG1-NE2 2.77Å; T464-Q633 VanDerWaalsContact OG1-NE2 3.17Å
465	L	73.8	Confident	79.7	Confident	35 Å²	35	34.5 Å²	34.5	18%	0.183	18%	0.176	C	C	.	.			trans	-92.9	-0	175.4	-77.6	173.8	0	0	0	113.3	V326 V328 T462 I472 L475 K482	V326-L465 HydrophobicContact CG1-CD2 4.16Å; V328-L465 HydrophobicContact CG2-CD1 3.44Å; V328-L465 VanDerWaalsContact CG2-CD1 3.44Å; V328-L465 HydrophobicContact CG2-CD2 4.35Å; V328-L465 HydrophobicContact CG2-CG 3.64Å; T462-L465 HydrophobicContact CG2-CD2 3.77Å; T462-L465 HydrophobicContact CG2-CG 4.09Å; L465-I472 WeakPolarHBondContact O-CD1 3.45Å; L465-I472 VanDerWaalsContact O-CG1 3.3Å; L465-I472 WeakPolarHBondContact O-CG1 3.41Å; L465-I472 WeakPolarHBondContact O-CG2 3.45Å; L465-L475 HydrophobicContact CD2-CD1 4.31Å; L465-L475 HydrophobicContact CD2-CD2 4.42Å; L465-K482 HydrophobicContact CD1-CD 3.67Å; L465-K482 HydrophobicContact CD1-CG 4.17Å
466	V	67.4	Low	79.1	Confident	45 Å²	45	35.5 Å²	35.5	27%	0.273	18%	0.181	S	C	.	.			trans	-77.4	131.2	-174.6	-179	0	0	0	0	110.9	R629 F674	V466-R629 PolarHBondContact O-NH1 3.01Å; V466-F674 HydrophobicContact CB-CE2 4.42Å; V466-F674 HydrophobicContact CG1-CE2 4.34Å; V466-F674 HydrophobicContact CG2-CE2 4.07Å
467	R	71	Confident	78.5	Confident	44 Å²	44	36 Å²	36	17%	0.166	18%	0.183	C	C	.	.			trans	-139	145.3	177.2	-151.4	179.5	149.8	136.8	-8.7	108	H439 T440 P442 D469 I472	H439-R467 PolarHBondContact O-NH1 3.49Å; T440-R467 PolarHBondContact O-NH1 2.96Å; P442-R467 VanDerWaalsContact CB-NH1 3.3Å; R467-D469 WeakPolarHBondContact CD-OD1 3.26Å; R467-D469 WeakPolarHBondContact CG-OD1 3.19Å; R467-D469 IonicContact CZ-OD1 2.88Å; R467-D469 IonicContact CZ-OD2 2.94Å; R467-D469 VanDerWaalsContact NE-CG 3.29Å; R467-D469 IonicContact NE-OD1 3.31Å; R467-D469 PolarHBondContact NE-OD1 2.85Å; R467-D469 IonicContact NE-OD2 2.85Å; R467-D469 PolarHBondContact NE-OD2 2.78Å; R467-D469 VanDerWaalsContact NE-OD2 3.1Å; R467-D469 IonicContact NH2-OD1 2.66Å; R467-D469 IonicContact NH2-OD2 3.23Å; R467-D469 PolarHBondContact NH2-OD2 3.3Å; R467-I472 HydrophobicContact CB-CD1 3.96Å; R467-I472 HydrophobicContact CB-CG1 3.42Å; R467-I472 VanDerWaalsContact CB-CG1 3.42Å
468	E	66.6	Low	78.1	Confident	106 Å²	106	36.3 Å²	36.3	50%	0.495	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.8	-170.1	-64.8	-179.5	178.4	0	0	114.3	S627	E468-S627 WeakPolarHBondContact OE1-CA 3.42Å; E468-S627 PolarHBondContact OE1-N 2.96Å
469	D	70.4	Confident	77.7	Confident	64 Å²	64	35.4 Å²	35.4	34%	0.342	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.4	-179.8	63.2	-12.5	0	0	0	112.8	R467 K471	R467-D469 WeakPolarHBondContact CD-OD1 3.26Å; R467-D469 WeakPolarHBondContact CG-OD1 3.19Å; R467-D469 IonicContact CZ-OD1 2.88Å; R467-D469 IonicContact CZ-OD2 2.94Å; R467-D469 VanDerWaalsContact NE-CG 3.29Å; R467-D469 IonicContact NE-OD1 3.31Å; R467-D469 PolarHBondContact NE-OD1 2.85Å; R467-D469 IonicContact NE-OD2 2.85Å; R467-D469 PolarHBondContact NE-OD2 2.78Å; R467-D469 VanDerWaalsContact NE-OD2 3.1Å; R467-D469 IonicContact NH2-OD1 2.66Å; R467-D469 IonicContact NH2-OD2 3.23Å; R467-D469 PolarHBondContact NH2-OD2 3.3Å; D469-K471 HydrophobicContact CB-CG 4.44Å; D469-K471 WeakPolarHBondContact O-CG 3.14Å; D469-K471 PolarHBondContact O-N 3.46Å; D469-K471 WeakPolarHBondContact OD2-CD 3.36Å; D469-K471 IonicContact OD2-NZ 2.75Å
470	D	68.6	Low	77.1	Confident	131 Å²	131	35.9 Å²	35.9	70%	0.701	19%	0.186	S	C	*	.	S	Bend	trans	55.8	9.2	-179.5	-62.9	-36.9	0	0	0	116.2	I472	D470-I472 PolarHBondContact O-N 2.98Å
471	K	70.9	Confident	76.5	Confident	86 Å²	86	37 Å²	37	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	19.4	178.2	-59.6	-174.6	-173	162.1	0	114.5	P442 D469 T473 D474	P442-K471 HydrophobicContact CB-CB 4.01Å; D469-K471 HydrophobicContact CB-CG 4.44Å; D469-K471 WeakPolarHBondContact O-CG 3.14Å; D469-K471 PolarHBondContact O-N 3.46Å; D469-K471 WeakPolarHBondContact OD2-CD 3.36Å; D469-K471 IonicContact OD2-NZ 2.75Å; K471-T473 VanDerWaalsContact C-N 3.29Å; K471-D474 PolarHBondContact O-N 3.41Å
472	I	71.7	Confident	75.9	Confident	50 Å²	50	38.9 Å²	38.9	26%	0.256	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.7	179	-54	159.7	0	0	0	109.5	L465 R467 D470 D474 L475	L465-I472 WeakPolarHBondContact O-CD1 3.45Å; L465-I472 VanDerWaalsContact O-CG1 3.3Å; L465-I472 WeakPolarHBondContact O-CG1 3.41Å; L465-I472 WeakPolarHBondContact O-CG2 3.45Å; R467-I472 HydrophobicContact CB-CD1 3.96Å; R467-I472 HydrophobicContact CB-CG1 3.42Å; R467-I472 VanDerWaalsContact CB-CG1 3.42Å; D470-I472 PolarHBondContact O-N 2.98Å; I472-D474 PolarHBondContact O-N 3.19Å; I472-D474 VanDerWaalsContact O-N 3.14Å; I472-L475 WeakPolarHBondContact O-CB 3.49Å; I472-L475 PolarHBondContact O-N 2.75Å
473	T	71	Confident	75.7	Confident	59 Å²	59	39.6 Å²	39.6	36%	0.362	21%	0.205	S	C	.	.	H	α-helix	trans	-55.3	-32	175.7	50.6	0	0	0	0	111.7	K471 L475 N476	K471-T473 VanDerWaalsContact C-N 3.29Å; T473-L475 PolarHBondContact O-N 3.46Å; T473-N476 PolarHBondContact O-N 3.12Å
474	D	74.9	Confident	75.9	Confident	35 Å²	35	40 Å²	40	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-27.3	-179.3	-62.6	-2.9	0	0	0	113.2	K471 I472 N476 F477 L478	K471-D474 PolarHBondContact O-N 3.41Å; I472-D474 PolarHBondContact O-N 3.19Å; I472-D474 VanDerWaalsContact O-N 3.14Å; D474-N476 VanDerWaalsContact C-N 3.26Å; D474-N476 PolarHBondContact O-N 2.95Å; D474-F477 VanDerWaalsContact CA-CD1 3.49Å; D474-F477 HydrophobicContact CB-CD1 4.27Å; D474-F477 HydrophobicContact CB-CE1 3.48Å; D474-F477 VanDerWaalsContact CB-CE1 3.48Å; D474-F477 HydrophobicContact CB-CZ 3.76Å; D474-F477 VanDerWaalsContact O-CD1 3.25Å; D474-F477 WeakPolarHBondContact O-CD1 3.38Å; D474-F477 WeakPolarHBondContact O-CE1 3.21Å; D474-F477 WeakPolarHBondContact O-CG 3.44Å; D474-F477 PolarHBondContact O-N 3.38Å; D474-L478 HydrophobicContact CB-CD1 4.45Å; D474-L478 VanDerWaalsContact O-CG 3.26Å; D474-L478 WeakPolarHBondContact O-CG 3.39Å; D474-L478 PolarHBondContact O-N 2.85Å; D474-L478 VanDerWaalsContact O-N 3.14Å
475	L	80.1	Confident	76.3	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-33.7	-177.1	-167.9	152.5	0	0	0	111.4	V326 V438 L465 I472 T473 F477 L478 I479	V326-L475 HydrophobicContact CB-CD2 4.28Å; V326-L475 HydrophobicContact CG1-CD2 4.31Å; V326-L475 HydrophobicContact CG2-CD2 3.34Å; V438-L475 HydrophobicContact CB-CD1 4.25Å; V438-L475 HydrophobicContact CG1-CD1 3.58Å; V438-L475 HydrophobicContact CG1-CD2 4.02Å; V438-L475 HydrophobicContact CG1-CG 3.86Å; L465-L475 HydrophobicContact CD2-CD1 4.31Å; L465-L475 HydrophobicContact CD2-CD2 4.42Å; I472-L475 WeakPolarHBondContact O-CB 3.49Å; I472-L475 PolarHBondContact O-N 2.75Å; T473-L475 PolarHBondContact O-N 3.46Å; L475-F477 VanDerWaalsContact C-N 3.32Å; L475-F477 PolarHBondContact O-N 3.38Å; L475-L478 PolarHBondContact O-N 2.98Å; L475-I479 HydrophobicContact CD2-CD1 4.37Å; L475-I479 HydrophobicContact CG-CD1 4.24Å; L475-I479 PolarHBondContact O-N 3.07Å
476	N	75.6	Confident	76.8	Confident	28 Å²	28	39.2 Å²	39.2	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-36.3	179.9	-69	-20.5	0	0	0	112.2	Y111 T473 D474 G480	Y111-N476 HydrophobicContact CD1-CB 3.78Å; Y111-N476 HydrophobicContact CE1-CB 3.96Å; Y111-N476 HydrophobicContact CG-CB 4.26Å; T473-N476 PolarHBondContact O-N 3.12Å; D474-N476 VanDerWaalsContact C-N 3.26Å; D474-N476 PolarHBondContact O-N 2.95Å; N476-G480 WeakPolarHBondContact CA-O 3.29Å; N476-G480 CarbonylContact O-C 3.54Å; N476-G480 VanDerWaalsContact O-C 3.26Å; N476-G480 WeakPolarHBondContact O-CA 3.08Å; N476-G480 PolarHBondContact O-N 2.87Å; N476-G480 VanDerWaalsContact O-N 3.14Å
477	F	74	Confident	77.5	Confident	28 Å²	28	37.2 Å²	37.2	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-86.8	-31.1	178.3	73.5	-110	0	0	0	113.2	I274 D474 L475	I274-F477 HydrophobicContact CD1-CB 3.31Å; I274-F477 HydrophobicContact CD1-CG 4.29Å; D474-F477 VanDerWaalsContact CA-CD1 3.49Å; D474-F477 HydrophobicContact CB-CD1 4.27Å; D474-F477 HydrophobicContact CB-CE1 3.48Å; D474-F477 VanDerWaalsContact CB-CE1 3.48Å; D474-F477 HydrophobicContact CB-CZ 3.76Å; D474-F477 VanDerWaalsContact O-CD1 3.25Å; D474-F477 WeakPolarHBondContact O-CD1 3.38Å; D474-F477 WeakPolarHBondContact O-CE1 3.21Å; D474-F477 WeakPolarHBondContact O-CG 3.44Å; D474-F477 PolarHBondContact O-N 3.38Å; L475-F477 VanDerWaalsContact C-N 3.32Å; L475-F477 PolarHBondContact O-N 3.38Å
478	L	81.3	Confident	77.9	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-35.6	-178.3	-74.1	173.7	0	0	0	112.8	I441 R447 L450 K458 D474 L475	I441-L478 HydrophobicContact CG2-CD1 4.32Å; R447-L478 HydrophobicContact CG-CD1 4.3Å; R447-L478 HydrophobicContact CG-CD2 3.99Å; L450-L478 HydrophobicContact CD1-CB 3.84Å; L450-L478 HydrophobicContact CD1-CD2 4.37Å; K458-L478 PolarHBondContact NZ-O 2.78Å; K458-L478 VanDerWaalsContact NZ-O 3.16Å; D474-L478 HydrophobicContact CB-CD1 4.45Å; D474-L478 VanDerWaalsContact O-CG 3.26Å; D474-L478 WeakPolarHBondContact O-CG 3.39Å; D474-L478 PolarHBondContact O-N 2.85Å; D474-L478 VanDerWaalsContact O-N 3.14Å; L475-L478 PolarHBondContact O-N 2.98Å
479	I	84.7	Confident	78.4	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.036	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-52.8	-172.9	-60.4	170.3	0	0	0	110.5	S324 V326 L435 V438 I441 L450 K458 L475	S324-I479 VanDerWaalsContact CB-O 3.24Å; S324-I479 WeakPolarHBondContact CB-O 3.49Å; V326-I479 HydrophobicContact CG2-CB 4.34Å; V326-I479 HydrophobicContact CG2-CG2 3.96Å; L435-I479 HydrophobicContact CD1-CD1 3.58Å; L435-I479 HydrophobicContact CD1-CG1 3.83Å; L435-I479 HydrophobicContact CD1-CG2 4.44Å; V438-I479 HydrophobicContact CG1-CD1 3.08Å; I441-I479 HydrophobicContact CD1-CD1 3.86Å; L450-I479 HydrophobicContact CD1-CG1 4.28Å; K458-I479 HydrophobicContact CB-CG2 3.94Å; L475-I479 HydrophobicContact CD2-CD1 4.37Å; L475-I479 HydrophobicContact CG-CD1 4.24Å; L475-I479 PolarHBondContact O-N 3.07Å
480	G	80.9	Confident	78.9	Confident	11 Å²	11	32.5 Å²	32.5	11%	0.113	17%	0.166	C	C	.	.			trans	144.7	178.6	-173.6	0	0	0	0	0	111.7	N476	N476-G480 WeakPolarHBondContact CA-O 3.29Å; N476-G480 CarbonylContact O-C 3.54Å; N476-G480 VanDerWaalsContact O-C 3.26Å; N476-G480 WeakPolarHBondContact O-CA 3.08Å; N476-G480 PolarHBondContact O-N 2.87Å; N476-G480 VanDerWaalsContact O-N 3.14Å
481	P	80.7	Confident	79.6	Confident	23 Å²	23	26.4 Å²	26.4	15%	0.149	13%	0.134	C	C	.	.			trans	-64.5	161.4	-178.1	27.3	-35	0	0	0	112.5	A115 G325 V326 L483	A115-P481 HydrophobicContact CB-CB 3.65Å; A115-P481 HydrophobicContact CB-CG 4.33Å; G325-P481 CarbonylContact C-O 3.55Å; G325-P481 WeakPolarHBondContact CA-O 3.17Å; V326-P481 PolarHBondContact N-O 3.04Å; P481-L483 HydrophobicContact CG-CD2 4.46Å; P481-L483 PolarHBondContact O-N 3.03Å
482	K	82.6	Confident	80	Confident	39 Å²	39	24.3 Å²	24.3	17%	0.17	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	111.2	168	-178.4	-175.7	177.9	-177.4	0	109.6	V326 V328 L465 E485	V326-K482 CarbonylContact O-C 3.5Å; V326-K482 WeakPolarHBondContact O-CA 2.82Å; V328-K482 HydrophobicContact CG2-CG 4.37Å; L465-K482 HydrophobicContact CD1-CD 3.67Å; L465-K482 HydrophobicContact CD1-CG 4.17Å; K482-E485 VanDerWaalsContact CE-CB 3.49Å; K482-E485 WeakPolarHBondContact CE-OE2 3.31Å; K482-E485 IonicContact NZ-OE2 2.75Å; K482-E485 PolarHBondContact NZ-OE2 3.22Å
483	L	85	Confident	80.5	Confident	16 Å²	16	29.1 Å²	29.1	8%	0.084	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-41.8	-176.3	-61.8	173	0	0	0	111.4	K315 M316 V326 I327 P481	K315-L483 WeakPolarHBondContact CD-O 3.48Å; M316-L483 HydrophobicContact CB-CD1 3.98Å; M316-L483 HydrophobicContact CG-CD1 4.13Å; V326-L483 PolarHBondContact O-N 2.8Å; I327-L483 HydrophobicContact CG1-CB 4.26Å; I327-L483 HydrophobicContact CG1-CD1 4.41Å; P481-L483 HydrophobicContact CG-CD2 4.46Å; P481-L483 PolarHBondContact O-N 3.03Å
484	Y	86.4	Confident	81	Confident	11 Å²	11	30.8 Å²	30.8	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142	-175.3	-176	-106.4	0	0	0	111.3	K311 K315 V328 L329 A486	K311-Y484 HydrophobicContact CB-CE2 4.49Å; K311-Y484 HydrophobicContact CD-CE2 4.12Å; K311-Y484 HydrophobicContact CG-CE2 4.05Å; K315-Y484 HydrophobicContact CD-CD2 4.3Å; V328-Y484 PolarHBondContact N-O 3.4Å; L329-Y484 HydrophobicContact CD2-CD1 4.18Å; L329-Y484 HydrophobicContact CD2-CE1 3.99Å; Y484-A486 HydrophobicContact CE1-CB 3.91Å
485	E	85.5	Confident	81.1	Confident	27 Å²	27	31.9 Å²	31.9	13%	0.126	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.3	164.5	175.2	178.1	176.1	0	0	109.2	P96 R99 V328 K482	P96-E485 WeakPolarHBondContact CG-OE2 3.24Å; R99-E485 IonicContact CZ-OE1 3.06Å; R99-E485 IonicContact NH1-OE1 2.76Å; R99-E485 IonicContact NH2-OE1 2.98Å; R99-E485 PolarHBondContact NH2-OE1 2.86Å; V328-E485 HydrophobicContact CB-CB 4.03Å; V328-E485 HydrophobicContact CB-CG 4.04Å; V328-E485 HydrophobicContact CG1-CG 4.14Å; V328-E485 WeakPolarHBondContact O-CA 2.98Å; K482-E485 VanDerWaalsContact CE-CB 3.49Å; K482-E485 WeakPolarHBondContact CE-OE2 3.31Å; K482-E485 IonicContact NZ-OE2 2.75Å; K482-E485 PolarHBondContact NZ-OE2 3.22Å
486	A	84.3	Confident	81	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.181	C	C	.	.			trans	-71.2	143.6	174.1	0	0	0	0	0	111.5	R99 V328 L329 Y484 L491	R99-A486 PolarHBondContact NH1-O 3.27Å; V328-A486 PolarHBondContact O-N 3.22Å; V328-A486 VanDerWaalsContact O-N 3.07Å; L329-A486 HydrophobicContact CD2-CB 3.73Å; Y484-A486 HydrophobicContact CE1-CB 3.91Å; A486-L491 HydrophobicContact CB-CD1 3.84Å
487	N	80.8	Confident	81.1	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.181	C	C	.	.			trans	-83.2	123.3	171.8	-171.4	-7	0	0	0	110.6	H87 M489 E490 L491	H87-N487 PolarHBondContact NE2-ND2 2.59Å; N487-M489 VanDerWaalsContact C-N 3.35Å; N487-M489 PolarHBondContact O-N 3.27Å; N487-M489 PolarHBondContact OD1-N 3.02Å; N487-E490 HydrophobicContact CB-CB 4.13Å; N487-E490 HydrophobicContact CB-CG 3.96Å; N487-E490 PolarHBondContact O-N 2.92Å; N487-L491 WeakPolarHBondContact O-CG 3.42Å; N487-L491 PolarHBondContact O-N 3.44Å
488	W	79.5	Confident	81.3	Confident	22 Å²	22	34.7 Å²	34.7	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-43	179.4	-70	87.7	0	0	0	112.1	P330 E490 L491 E492 I497 Y680	P330-W488 HydrophobicContact CB-CD2 3.95Å; P330-W488 HydrophobicContact CB-CE3 3.71Å; P330-W488 HydrophobicContact CB-CH2 3.29Å; P330-W488 HydrophobicContact CB-CZ2 3.51Å; P330-W488 HydrophobicContact CB-CZ3 3.37Å; P330-W488 HydrophobicContact CG-CD2 4.31Å; P330-W488 HydrophobicContact CG-CE3 4.25Å; P330-W488 HydrophobicContact CG-CZ3 4.35Å; W488-E490 VanDerWaalsContact C-N 3.33Å; W488-E490 PolarHBondContact O-N 3.05Å; W488-L491 PolarHBondContact O-N 3.28Å; W488-E492 WeakPolarHBondContact O-CB 3.04Å; W488-E492 PolarHBondContact O-N 3.17Å; W488-I497 HydrophobicContact CE3-CD1 4.28Å; W488-Y680 WeakPolarHBondContact CZ3-OH 3.34Å
489	M	78.1	Confident	81.3	Confident	45 Å²	45	39.4 Å²	39.4	22%	0.222	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-34.3	-178.2	-67.8	-165.3	-67.4	0	0	112.6	R99 P100 H104 N487 E492 R493	R99-M489 HydrophobicContact CB-CE 4.16Å; R99-M489 WeakPolarHBondContact O-CE 3.29Å; P100-M489 WeakPolarHBondContact O-CE 3.41Å; H104-M489 VanDerWaalsContact NE2-CE 3.34Å; H104-M489 WeakPolarHBondContact NE2-CE 3.31Å; N487-M489 VanDerWaalsContact C-N 3.35Å; N487-M489 PolarHBondContact O-N 3.27Å; N487-M489 PolarHBondContact OD1-N 3.02Å; M489-E492 PolarHBondContact O-N 2.98Å; M489-R493 VanDerWaalsContact O-CB 3.29Å; M489-R493 WeakPolarHBondContact O-CB 3.5Å; M489-R493 PolarHBondContact O-N 2.76Å
490	E	80.6	Confident	81.3	Confident	47 Å²	47	39.4 Å²	39.4	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-67.9	-45.9	175.6	-70.3	175.9	176.4	0	0	110.8	H87 N487 W488 E492 R493 D494	H87-E490 IonicContact CE1-OE1 3.48Å; H87-E490 PolarHBondContact CE1-OE1 3.19Å; H87-E490 IonicContact CE1-OE2 2.68Å; H87-E490 IonicContact ND1-OE1 2.62Å; H87-E490 IonicContact NE2-OE1 3.82Å; N487-E490 HydrophobicContact CB-CB 4.13Å; N487-E490 HydrophobicContact CB-CG 3.96Å; N487-E490 PolarHBondContact O-N 2.92Å; W488-E490 VanDerWaalsContact C-N 3.33Å; W488-E490 PolarHBondContact O-N 3.05Å; E490-E492 VanDerWaalsContact C-N 3.25Å; E490-E492 PolarHBondContact O-N 2.86Å; E490-R493 PolarHBondContact O-N 2.91Å; E490-D494 WeakPolarHBondContact O-CB 3.27Å; E490-D494 PolarHBondContact O-N 2.84Å
491	L	82.9	Confident	81.7	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-32.8	176.9	-66.4	178.6	0	0	0	112.9	Y308 P330 A333 A486 N487 W488 G495 Y496 I497	Y308-L491 HydrophobicContact CD1-CD2 3.28Å; Y308-L491 HydrophobicContact CD2-CD2 4.16Å; Y308-L491 HydrophobicContact CE1-CD2 3.3Å; Y308-L491 HydrophobicContact CE2-CD2 4.2Å; Y308-L491 HydrophobicContact CG-CD2 3.72Å; P330-L491 HydrophobicContact CG-CD1 3.36Å; A333-L491 HydrophobicContact CB-CD1 4.33Å; A486-L491 HydrophobicContact CB-CD1 3.84Å; N487-L491 WeakPolarHBondContact O-CG 3.42Å; N487-L491 PolarHBondContact O-N 3.44Å; W488-L491 PolarHBondContact O-N 3.28Å; L491-G495 PolarHBondContact O-N 3.23Å; L491-Y496 HydrophobicContact CD2-CD2 3.89Å; L491-Y496 HydrophobicContact CD2-CG 4.5Å; L491-Y496 PolarHBondContact O-N 3.19Å; L491-I497 HydrophobicContact CB-CB 4.41Å; L491-I497 HydrophobicContact CB-CD1 3.7Å; L491-I497 HydrophobicContact CB-CG1 3.97Å; L491-I497 HydrophobicContact CD1-CD1 3.66Å; L491-I497 HydrophobicContact CG-CD1 4.34Å; L491-I497 PolarHBondContact O-N 3.41Å
492	E	80.2	Confident	82.1	Confident	41 Å²	41	39.6 Å²	39.6	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-43.4	174	-177.2	180	168.5	0	0	111.9	W488 M489 E490 G495 R499	W488-E492 WeakPolarHBondContact O-CB 3.04Å; W488-E492 PolarHBondContact O-N 3.17Å; M489-E492 PolarHBondContact O-N 2.98Å; E490-E492 VanDerWaalsContact C-N 3.25Å; E490-E492 PolarHBondContact O-N 2.86Å; E492-G495 PolarHBondContact O-N 2.99Å; E492-R499 HydrophobicContact CG-CB 4.18Å; E492-R499 HydrophobicContact CG-CG 3.54Å; E492-R499 WeakPolarHBondContact OE1-CA 3.41Å; E492-R499 WeakPolarHBondContact OE1-CB 3.48Å; E492-R499 WeakPolarHBondContact OE1-CD 3.42Å; E492-R499 WeakPolarHBondContact OE1-CG 3.3Å; E492-R499 IonicContact OE1-NE 2.75Å
493	R	80.9	Confident	82.6	Confident	152 Å²	152	38 Å²	38	57%	0.574	19%	0.185	S	C	*	.	H	α-helix	trans	-66.4	-40.8	178.4	-174.4	179.8	65.3	-167.4	-4.2	112.1	M489 E490 G495	M489-R493 VanDerWaalsContact O-CB 3.29Å; M489-R493 WeakPolarHBondContact O-CB 3.5Å; M489-R493 PolarHBondContact O-N 2.76Å; E490-R493 PolarHBondContact O-N 2.91Å; R493-G495 PolarHBondContact O-N 2.88Å
494	D	81.8	Confident	83	Confident	94 Å²	94	37.4 Å²	37.4	50%	0.503	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.8	179.5	-62.5	-8.2	0	0	0	112.2	E490 Y496	E490-D494 WeakPolarHBondContact O-CB 3.27Å; E490-D494 PolarHBondContact O-N 2.84Å; D494-Y496 VanDerWaalsContact C-N 3.34Å; D494-Y496 HydrophobicContact CB-CD2 3.65Å; D494-Y496 HydrophobicContact CB-CE2 3.63Å; D494-Y496 PolarHBondContact O-N 3.27Å
495	G	77.9	Confident	83.4	Confident	58 Å²	58	36.9 Å²	36.9	60%	0.598	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	14.4	175.3	0	0	0	0	0	114.7	L491 E492 R493	L491-G495 PolarHBondContact O-N 3.23Å; E492-G495 PolarHBondContact O-N 2.99Å; R493-G495 PolarHBondContact O-N 2.88Å
496	Y	78.1	Confident	83.9	Confident	83 Å²	83	39 Å²	39	33%	0.325	19%	0.187	S	C	.	.	S	Bend	trans	-74.7	-29.3	172.6	-63	-58.5	0	0	0	112.4	R306 P307 Y308 L491 D494	R306-Y496 HydrophobicContact CB-CE1 4.44Å; R306-Y496 HydrophobicContact CG-CD1 4.4Å; R306-Y496 HydrophobicContact CG-CE1 3.91Å; P307-Y496 WeakPolarHBondContact CD-OH 3.36Å; Y308-Y496 HydrophobicContact CD1-CD2 4.18Å; Y308-Y496 HydrophobicContact CD1-CE2 4.15Å; Y308-Y496 HydrophobicContact CE1-CD1 4.48Å; Y308-Y496 AromaticContact CE1-CD2 3.71Å; Y308-Y496 HydrophobicContact CE1-CD2 3.71Å; Y308-Y496 AromaticContact CE1-CE2 3.95Å; Y308-Y496 HydrophobicContact CE1-CE2 3.95Å; Y308-Y496 AromaticContact CE1-CG 4Å; Y308-Y496 HydrophobicContact CE1-CG 4Å; L491-Y496 HydrophobicContact CD2-CD2 3.89Å; L491-Y496 HydrophobicContact CD2-CG 4.5Å; L491-Y496 PolarHBondContact O-N 3.19Å; D494-Y496 VanDerWaalsContact C-N 3.34Å; D494-Y496 HydrophobicContact CB-CD2 3.65Å; D494-Y496 HydrophobicContact CB-CE2 3.63Å; D494-Y496 PolarHBondContact O-N 3.27Å
497	I	77.7	Confident	84.3	Confident	32 Å²	32	39 Å²	39	16%	0.164	19%	0.186	C	C	.	.	S	Bend	trans	-122.4	149.8	177.1	-61.2	-179.8	0	0	0	109.1	P330 W488 L491	P330-I497 HydrophobicContact CB-CD1 4.01Å; P330-I497 HydrophobicContact CG-CD1 3.63Å; W488-I497 HydrophobicContact CE3-CD1 4.28Å; L491-I497 HydrophobicContact CB-CB 4.41Å; L491-I497 HydrophobicContact CB-CD1 3.7Å; L491-I497 HydrophobicContact CB-CG1 3.97Å; L491-I497 HydrophobicContact CD1-CD1 3.66Å; L491-I497 HydrophobicContact CG-CD1 4.34Å; L491-I497 PolarHBondContact O-N 3.41Å
498	A	77.4	Confident	85	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.033	20%	0.203	C	C	.	.			trans	-68.5	146.4	176.8	0	0	0	0	0	112	V500 A641 N651 A652	A498-V500 PolarHBondContact O-N 3.25Å; A498-A641 HydrophobicContact CB-CB 4.12Å; A498-N651 WeakPolarHBondContact CA-OD1 3.28Å; A498-N651 WeakPolarHBondContact CB-OD1 3.36Å; A498-A652 HydrophobicContact CB-CB 3.89Å
499	R	81.3	Confident	85.7	Confident	107 Å²	107	41.9 Å²	41.9	40%	0.404	21%	0.206	S	C	.	.			trans	-77.9	109.5	168.7	-57.2	-140.8	171	162.9	-4.4	109.4	E492 F650 N651 A652	E492-R499 HydrophobicContact CG-CB 4.18Å; E492-R499 HydrophobicContact CG-CG 3.54Å; E492-R499 WeakPolarHBondContact OE1-CA 3.41Å; E492-R499 WeakPolarHBondContact OE1-CB 3.48Å; E492-R499 WeakPolarHBondContact OE1-CD 3.42Å; E492-R499 WeakPolarHBondContact OE1-CG 3.3Å; E492-R499 IonicContact OE1-NE 2.75Å; R499-F650 HydrophobicContact CB-CD1 4.27Å; R499-N651 PolarHBondContact N-OD1 3.41Å; R499-N651 PolarHBondContact O-N 3.41Å; R499-N651 PolarHBondContact O-OD1 3.32Å; R499-A652 PolarHBondContact O-N 3.33Å
500	V	85.1	Confident	86.4	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.8	-174.1	-176.8	0	0	0	0	110.9	A498 L635 L639 A652 F654 Y680	A498-V500 PolarHBondContact O-N 3.25Å; V500-L635 HydrophobicContact CG1-CD2 4.26Å; V500-L635 HydrophobicContact CG2-CD2 4.2Å; V500-L639 HydrophobicContact CB-CD1 4.21Å; V500-L639 HydrophobicContact CG1-CD1 3.44Å; V500-L639 VanDerWaalsContact CG1-CD1 3.44Å; V500-L639 HydrophobicContact CG2-CB 4.26Å; V500-L639 HydrophobicContact CG2-CD1 3.64Å; V500-A652 WeakPolarHBondContact CA-O 3.31Å; V500-A652 HydrophobicContact CG2-CB 3.97Å; V500-F654 HydrophobicContact CG1-CB 4Å; V500-Y680 HydrophobicContact CB-CD1 4.35Å; V500-Y680 HydrophobicContact CB-CE1 4.39Å
501	Q	89	Confident	87	Confident	38 Å²	38	42 Å²	42	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.8	165.8	-176.5	87	76	0	0	109.1	F650 A652 F653 F654 S681	Q501-F650 HydrophobicContact CB-CB 4.22Å; Q501-F650 HydrophobicContact CB-CD1 3.97Å; Q501-F650 HydrophobicContact CB-CG 3.98Å; Q501-F650 VanDerWaalsContact OE1-CD2 3.29Å; Q501-A652 PolarHBondContact N-O 2.93Å; Q501-F653 HydrophobicContact CB-CD1 3.94Å; Q501-F653 HydrophobicContact CB-CE1 4.28Å; Q501-F653 HydrophobicContact CG-CD1 4.44Å; Q501-F654 PolarHBondContact O-N 2.8Å; Q501-S681 PolarHBondContact NE2-OG 3.27Å; Q501-S681 VanDerWaalsContact NE2-OG 3.15Å
502	C	90.1	Very high	87.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.4	170.9	-61.7	0	0	0	0	109.6	F654 S681 Y682 K683	C502-F654 CarbonylContact C-O 3.57Å; C502-F654 HydrophobicContact CB-CD1 4.1Å; C502-S681 WeakPolarHBondContact CA-O 3.44Å; C502-S681 VanDerWaalsContact CB-O 3.3Å; C502-S681 WeakPolarHBondContact CB-O 3.43Å; C502-S681 PolarHBondContact N-O 3.36Å; C502-Y682 HydrophobicContact CB-CD2 3.68Å; C502-Y682 HydrophobicContact CB-CE2 4.24Å; C502-Y682 CarbonylContact O-C 3.49Å; C502-Y682 WeakPolarHBondContact O-CA 3.44Å; C502-K683 PolarHBondContact O-N 3.45Å
503	A	92.8	Very high	88.1	Confident	5 Å²	5	42 Å²	42	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.4	179.6	0	0	0	0	0	110.7	F654 Y655 S656 K683 I685	A503-F654 PolarHBondContact N-O 2.9Å; A503-Y655 HydrophobicContact CB-CD1 3.66Å; A503-Y655 HydrophobicContact CB-CE1 3.75Å; A503-Y655 CarbonylContact O-C 3.54Å; A503-Y655 VanDerWaalsContact O-CA 3.29Å; A503-Y655 WeakPolarHBondContact O-CA 3.46Å; A503-S656 PolarHBondContact O-N 3.46Å; A503-K683 CarbonylContact C-O 3.57Å; A503-K683 VanDerWaalsContact CA-O 3.28Å; A503-K683 WeakPolarHBondContact CA-O 3.26Å; A503-I685 HydrophobicContact CB-CD1 3.91Å
504	E	93.4	Very high	88.8	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.3	169.6	-162.5	-173.3	165.8	0	0	109.1	W506 V658 S668 Y682 K683 V684 I685	E504-W506 PolarHBondContact OE1-NE1 2.68Å; E504-V658 HydrophobicContact CG-CB 4.47Å; E504-V658 HydrophobicContact CG-CG2 3.81Å; E504-V658 WeakPolarHBondContact OE1-CG2 3.41Å; E504-S668 VanDerWaalsContact OE1-CB 3.27Å; E504-S668 WeakPolarHBondContact OE1-CB 3.46Å; E504-S668 PolarHBondContact OE1-OG 2.97Å; E504-S668 PolarHBondContact OE2-OG 3.39Å; E504-Y682 HydrophobicContact CB-CE1 3.93Å; E504-Y682 WeakPolarHBondContact CB-OH 3.37Å; E504-Y682 PolarHBondContact OE2-OH 3.34Å; E504-K683 PolarHBondContact N-O 3.26Å; E504-V684 HydrophobicContact CB-CG2 4.4Å; E504-V684 CarbonylContact O-C 3.33Å; E504-V684 WeakPolarHBondContact O-CA 3.41Å; E504-I685 PolarHBondContact O-N 2.82Å
505	V	94.7	Very high	89.3	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.4	179.2	-170.2	0	0	0	0	108.9	C507 I538 Y655 S656 L657 V658 I685 L688	V505-C507 PolarHBondContact O-N 3.39Å; V505-C507 PolarHBondContact O-SG 3.36Å; V505-I538 HydrophobicContact CB-CG2 4.44Å; V505-I538 HydrophobicContact CG1-CD1 4.25Å; V505-I538 HydrophobicContact CG1-CG2 3.77Å; V505-Y655 HydrophobicContact CG2-CD1 3.99Å; V505-S656 PolarHBondContact N-O 3.34Å; V505-L657 HydrophobicContact CB-CD2 3.79Å; V505-L657 HydrophobicContact CG1-CD2 4.46Å; V505-L657 HydrophobicContact CG2-CD2 4.14Å; V505-V658 PolarHBondContact O-N 2.92Å; V505-I685 WeakPolarHBondContact CA-O 3.47Å; V505-I685 HydrophobicContact CG2-CB 4.47Å; V505-L688 HydrophobicContact CG1-CD1 4.14Å; V505-L688 HydrophobicContact CG1-CG 4.32Å
506	W	94.8	Very high	90	Very high	71 Å²	71	43.7 Å²	43.7	27%	0.269	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.9	178.2	-70.2	-1.8	0	0	0	110.5	E504 Q660 M665 V684 I685 T686	E504-W506 PolarHBondContact OE1-NE1 2.68Å; W506-Q660 HydrophobicContact CB-CG 3.89Å; W506-Q660 HydrophobicContact CG-CG 4.42Å; W506-M665 HydrophobicContact CD2-CE 4.47Å; W506-M665 HydrophobicContact CH2-CE 4.17Å; W506-M665 HydrophobicContact CZ2-CE 3.76Å; W506-V684 HydrophobicContact CD2-CG1 3.69Å; W506-V684 VanDerWaalsContact CE2-CG1 3.45Å; W506-V684 HydrophobicContact CE3-CG1 4.19Å; W506-V684 HydrophobicContact CG-CG1 4.1Å; W506-V684 HydrophobicContact CH2-CG1 4.23Å; W506-V684 HydrophobicContact CZ2-CG1 3.74Å; W506-V684 HydrophobicContact CZ3-CG1 4.44Å; W506-I685 PolarHBondContact N-O 2.93Å; W506-T686 HydrophobicContact CE3-CG2 3.88Å
507	C	93.9	Very high	90.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.9	-177.9	-54.2	0	0	0	0	108.1	V505 K535 I538 V658 S659 Q660	V505-C507 PolarHBondContact O-N 3.39Å; V505-C507 PolarHBondContact O-SG 3.36Å; C507-K535 HydrophobicContact CB-CB 4.1Å; C507-I538 HydrophobicContact CB-CD1 4.03Å; C507-I538 WeakPolarHBondContact SG-CD1 3.45Å; C507-V658 PolarHBondContact N-O 2.88Å; C507-S659 WeakPolarHBondContact O-CA 3.41Å; C507-Q660 PolarHBondContact O-N 2.85Å
508	P	94.9	Very high	91.4	Very high	59 Å²	59	43.6 Å²	43.6	38%	0.383	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-61.8	141.1	174.8	24.8	-32.1	0	0	0	110.1	N532 N534	P508-N532 PolarHBondContact O-ND2 3.33Å; P508-N534 WeakPolarHBondContact O-CB 3.11Å; P508-N534 PolarHBondContact O-ND2 3.4Å
509	M	93.4	Very high	92.1	Very high	29 Å²	29	47.7 Å²	47.7	14%	0.143	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-74.1	143.6	174.2	-72	-68.2	-71.8	0	0	110.4	F513 Y514 N532 S659 Q660 T662	M509-F513 HydrophobicContact CE-CB 3.86Å; M509-Y514 HydrophobicContact CB-CD2 4.18Å; M509-Y514 HydrophobicContact CB-CG 4.48Å; M509-Y514 HydrophobicContact CG-CD2 4.33Å; M509-N532 HydrophobicContact SD-CB 3.74Å; M509-N532 PolarHBondContact SD-ND2 2.79Å; M509-N532 VanDerWaalsContact SD-ND2 3.37Å; M509-S659 VanDerWaalsContact SD-CB 3.57Å; M509-Q660 WeakPolarHBondContact CG-O 3.4Å; M509-T662 HydrophobicContact CE-CG2 4.44Å; M509-T662 HydrophobicContact CG-CG2 3.97Å; M509-T662 HydrophobicContact SD-CG2 4.06Å
510	T	93.6	Very high	92.5	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-73.9	146.9	167.3	58.5	0	0	0	0	109.8	E512 F513 Y514 P533	T510-E512 VanDerWaalsContact C-N 3.25Å; T510-E512 PolarHBondContact O-N 3.23Å; T510-F513 PolarHBondContact O-N 3.37Å; T510-F513 WeakPolarHBondContact OG1-CB 3.26Å; T510-F513 WeakPolarHBondContact OG1-CD2 3.46Å; T510-Y514 WeakPolarHBondContact O-CB 3.34Å; T510-Y514 PolarHBondContact O-N 3.32Å; T510-P533 HydrophobicContact CG2-CB 4.2Å; T510-P533 HydrophobicContact CG2-CG 4.11Å
511	S	93.4	Very high	92.5	Very high	83 Å²	83	51.4 Å²	51.4	58%	0.58	26%	0.255	S	S	*	.	H	α-helix	trans	-55.4	-40.1	-175.6	39.1	0	0	0	0	113.4	Y514 Y515	S511-Y514 PolarHBondContact O-N 3Å; S511-Y515 WeakPolarHBondContact O-CB 3.36Å; S511-Y515 PolarHBondContact O-N 3.1Å
512	E	92.7	Very high	92.2	Very high	44 Å²	44	55 Å²	55	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-47.5	-177.3	-66.1	75	-175.4	0	0	110.6	T510 Y514 Y515 Y516 K701 L708	T510-E512 VanDerWaalsContact C-N 3.25Å; T510-E512 PolarHBondContact O-N 3.23Å; E512-Y514 VanDerWaalsContact C-N 3.34Å; E512-Y515 PolarHBondContact O-N 3.28Å; E512-Y516 VanDerWaalsContact O-CD2 3.24Å; E512-Y516 WeakPolarHBondContact O-CD2 3.49Å; E512-Y516 PolarHBondContact O-N 3.44Å; E512-K701 WeakPolarHBondContact OE1-CE 3.31Å; E512-K701 IonicContact OE1-NZ 3.09Å; E512-K701 PolarHBondContact OE1-NZ 3.31Å; E512-L708 HydrophobicContact CB-CD2 3.77Å
513	F	94	Very high	91.7	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-40.1	175.3	-84.1	-103.4	0	0	0	111.3	M509 T510 Y515 Y516 Y517 L528 M531 P533 F707 L708 V711	M509-F513 HydrophobicContact CE-CB 3.86Å; T510-F513 PolarHBondContact O-N 3.37Å; T510-F513 WeakPolarHBondContact OG1-CB 3.26Å; T510-F513 WeakPolarHBondContact OG1-CD2 3.46Å; F513-Y515 PolarHBondContact O-N 3.12Å; F513-Y516 PolarHBondContact O-N 3.29Å; F513-Y517 VanDerWaalsContact O-CB 3.28Å; F513-Y517 WeakPolarHBondContact O-CB 3.3Å; F513-Y517 PolarHBondContact O-N 3.04Å; F513-L528 HydrophobicContact CD1-CD2 3.96Å; F513-L528 HydrophobicContact CE1-CD2 4.3Å; F513-M531 HydrophobicContact CE1-CB 4.28Å; F513-M531 WeakPolarHBondContact CE1-O 3.48Å; F513-M531 WeakPolarHBondContact CZ-O 3.46Å; F513-P533 HydrophobicContact CD2-CG 3.86Å; F513-P533 HydrophobicContact CE2-CG 3.41Å; F513-P533 VanDerWaalsContact CE2-CG 3.41Å; F513-P533 HydrophobicContact CZ-CG 3.97Å; F513-F707 HydrophobicContact CE2-CD1 4.44Å; F513-F707 AromaticContact CZ-CD1 3.74Å; F513-F707 HydrophobicContact CZ-CD1 3.74Å; F513-F707 HydrophobicContact CZ-CE1 4.26Å; F513-L708 HydrophobicContact CD1-CD1 3.88Å; F513-L708 HydrophobicContact CD2-CB 4.29Å; F513-L708 HydrophobicContact CD2-CD1 3.92Å; F513-L708 HydrophobicContact CD2-CD2 4.39Å; F513-L708 HydrophobicContact CD2-CG 4.43Å; F513-L708 HydrophobicContact CE1-CD1 3.75Å; F513-L708 HydrophobicContact CE2-CB 3.58Å; F513-L708 HydrophobicContact CE2-CD1 3.83Å; F513-L708 HydrophobicContact CE2-CD2 4.46Å; F513-L708 HydrophobicContact CE2-CG 4.15Å; F513-L708 HydrophobicContact CG-CD1 3.96Å; F513-L708 HydrophobicContact CZ-CB 3.76Å; F513-L708 HydrophobicContact CZ-CD1 3.74Å; F513-L708 HydrophobicContact CZ-CG 4.33Å; F513-V711 HydrophobicContact CE1-CG2 4.37Å
514	Y	94.3	Very high	91.4	Very high	77 Å²	77	61.8 Å²	61.8	30%	0.302	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-38.2	-179.7	-167	-115.3	0	0	0	112.3	M509 T510 S511 E512 Y516 Y517 L518 D661	M509-Y514 HydrophobicContact CB-CD2 4.18Å; M509-Y514 HydrophobicContact CB-CG 4.48Å; M509-Y514 HydrophobicContact CG-CD2 4.33Å; T510-Y514 WeakPolarHBondContact O-CB 3.34Å; T510-Y514 PolarHBondContact O-N 3.32Å; S511-Y514 PolarHBondContact O-N 3Å; E512-Y514 VanDerWaalsContact C-N 3.34Å; Y514-Y516 PolarHBondContact O-N 3.43Å; Y514-Y517 HydrophobicContact CD2-CD1 4.29Å; Y514-Y517 HydrophobicContact CE2-CD1 4.24Å; Y514-Y517 WeakPolarHBondContact O-CB 3.32Å; Y514-Y517 PolarHBondContact O-N 2.97Å; Y514-L518 HydrophobicContact CD1-CD1 4.13Å; Y514-L518 HydrophobicContact CD1-CG 4.47Å; Y514-L518 HydrophobicContact CE1-CD1 3.76Å; Y514-L518 HydrophobicContact CE1-CD2 4.38Å; Y514-L518 HydrophobicContact CE1-CG 4.17Å; Y514-L518 HydrophobicContact CE2-CD2 4.36Å; Y514-L518 WeakPolarHBondContact O-CG 3.46Å; Y514-L518 PolarHBondContact O-N 3.41Å; Y514-D661 HydrophobicContact CE2-CB 3.97Å
515	Y	93.6	Very high	91.2	Very high	167 Å²	167	64.1 Å²	64.1	66%	0.655	32%	0.316	S	S	*	.	H	α-helix	trans	-58	-48.1	174.3	178.6	-96.9	0	0	0	112.4	S511 E512 F513 S519	S511-Y515 WeakPolarHBondContact O-CB 3.36Å; S511-Y515 PolarHBondContact O-N 3.1Å; E512-Y515 PolarHBondContact O-N 3.28Å; F513-Y515 PolarHBondContact O-N 3.12Å; Y515-S519 PolarHBondContact O-OG 3.07Å
516	Y	91.5	Very high	90.8	Very high	96 Å²	96	65.5 Å²	65.5	38%	0.376	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-33.9	175.3	-73.8	-74.5	0	0	0	112.4	E512 F513 Y514 L518 S519 A520 L708 L712	E512-Y516 VanDerWaalsContact O-CD2 3.24Å; E512-Y516 WeakPolarHBondContact O-CD2 3.49Å; E512-Y516 PolarHBondContact O-N 3.44Å; F513-Y516 PolarHBondContact O-N 3.29Å; Y514-Y516 PolarHBondContact O-N 3.43Å; Y516-L518 VanDerWaalsContact C-N 3.32Å; Y516-L518 PolarHBondContact O-N 3.4Å; Y516-S519 PolarHBondContact O-N 2.71Å; Y516-S519 PolarHBondContact O-OG 3.17Å; Y516-S519 VanDerWaalsContact O-OG 3.1Å; Y516-A520 VanDerWaalsContact O-CB 3.27Å; Y516-A520 WeakPolarHBondContact O-CB 3.44Å; Y516-A520 PolarHBondContact O-N 2.88Å; Y516-L708 HydrophobicContact CD2-CD1 4.19Å; Y516-L708 HydrophobicContact CD2-CD2 3.84Å; Y516-L708 HydrophobicContact CD2-CG 4.4Å; Y516-L708 HydrophobicContact CE2-CD2 3.8Å; Y516-L708 HydrophobicContact CE2-CG 4.49Å; Y516-L712 HydrophobicContact CD1-CD1 4.3Å; Y516-L712 HydrophobicContact CD1-CD2 4.03Å; Y516-L712 HydrophobicContact CD2-CD1 4.24Å; Y516-L712 HydrophobicContact CE1-CD1 4Å; Y516-L712 HydrophobicContact CE1-CD2 4.45Å; Y516-L712 HydrophobicContact CE2-CD1 3.96Å; Y516-L712 HydrophobicContact CG-CD1 4.41Å; Y516-L712 HydrophobicContact CG-CD2 4.14Å
517	Y	92.8	Very high	90.5	Very high	11 Å²	11	62.4 Å²	62.4	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.8	178.1	-92.9	0	0	0	112.1	F513 Y514 S519 K525 L528 A529 T662 M663	F513-Y517 VanDerWaalsContact O-CB 3.28Å; F513-Y517 WeakPolarHBondContact O-CB 3.3Å; F513-Y517 PolarHBondContact O-N 3.04Å; Y514-Y517 HydrophobicContact CD2-CD1 4.29Å; Y514-Y517 HydrophobicContact CE2-CD1 4.24Å; Y514-Y517 WeakPolarHBondContact O-CB 3.32Å; Y514-Y517 PolarHBondContact O-N 2.97Å; Y517-S519 VanDerWaalsContact C-N 3.33Å; Y517-S519 PolarHBondContact O-N 2.71Å; Y517-K525 HydrophobicContact CD2-CB 3.9Å; Y517-K525 HydrophobicContact CD2-CG 4.13Å; Y517-K525 VanDerWaalsContact CD2-O 3.26Å; Y517-K525 WeakPolarHBondContact CD2-O 3.15Å; Y517-K525 HydrophobicContact CE1-CD 4.35Å; Y517-K525 HydrophobicContact CE2-CB 3.51Å; Y517-K525 HydrophobicContact CE2-CD 4.32Å; Y517-K525 HydrophobicContact CE2-CG 4.03Å; Y517-K525 WeakPolarHBondContact CE2-O 3.4Å; Y517-K525 WeakPolarHBondContact O-CD 3.29Å; Y517-K525 WeakPolarHBondContact O-CE 3.36Å; Y517-K525 VanDerWaalsContact O-CG 3.31Å; Y517-K525 WeakPolarHBondContact O-CG 3.38Å; Y517-L528 HydrophobicContact CD2-CB 4.2Å; Y517-A529 HydrophobicContact CE2-CB 4.05Å; Y517-T662 HydrophobicContact CE1-CG2 4.23Å; Y517-T662 HydrophobicContact CE2-CG2 4.03Å; Y517-T662 WeakPolarHBondContact OH-CA 3.47Å; Y517-T662 WeakPolarHBondContact OH-CB 3.46Å; Y517-M663 WeakPolarHBondContact OH-CG 3.43Å; Y517-M663 PolarHBondContact OH-N 2.97Å
518	L	93.7	Very high	90.4	Very high	101 Å²	101	62.8 Å²	62.8	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-37	179.8	-69.2	176.8	0	0	0	112.6	Y514 Y516 K525	Y514-L518 HydrophobicContact CD1-CD1 4.13Å; Y514-L518 HydrophobicContact CD1-CG 4.47Å; Y514-L518 HydrophobicContact CE1-CD1 3.76Å; Y514-L518 HydrophobicContact CE1-CD2 4.38Å; Y514-L518 HydrophobicContact CE1-CG 4.17Å; Y514-L518 HydrophobicContact CE2-CD2 4.36Å; Y514-L518 WeakPolarHBondContact O-CG 3.46Å; Y514-L518 PolarHBondContact O-N 3.41Å; Y516-L518 VanDerWaalsContact C-N 3.32Å; Y516-L518 PolarHBondContact O-N 3.4Å; L518-K525 PolarHBondContact O-NZ 3.1Å
519	S	91.4	Very high	90.2	Very high	91 Å²	91	60 Å²	60	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-86.6	-17.4	-177.7	56.8	0	0	0	0	114.9	Y515 Y516 Y517	Y515-S519 PolarHBondContact O-OG 3.07Å; Y516-S519 PolarHBondContact O-N 2.71Å; Y516-S519 PolarHBondContact O-OG 3.17Å; Y516-S519 VanDerWaalsContact O-OG 3.1Å; Y517-S519 VanDerWaalsContact C-N 3.33Å; Y517-S519 PolarHBondContact O-N 2.71Å
520	A	88.5	Confident	90.2	Very high	22 Å²	22	59 Å²	59	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-73.2	159.5	-175.7	0	0	0	0	0	114.4	Y516 R524 K525 L528	Y516-A520 VanDerWaalsContact O-CB 3.27Å; Y516-A520 WeakPolarHBondContact O-CB 3.44Å; Y516-A520 PolarHBondContact O-N 2.88Å; A520-R524 HydrophobicContact CB-CB 3.91Å; A520-K525 HydrophobicContact CB-CG 3.96Å; A520-K525 WeakPolarHBondContact O-CE 3.43Å; A520-L528 HydrophobicContact CB-CD1 4Å
521	K	86.1	Confident	90.1	Very high	169 Å²	169	58.6 Å²	58.6	74%	0.735	29%	0.289	S	S	*	.			trans	-74	164.2	167.2	-65.8	-179	-179	176.3	0	111.2	S523 R524 K525	K521-S523 PolarHBondContact O-N 3.2Å; K521-R524 PolarHBondContact O-N 2.88Å; K521-K525 WeakPolarHBondContact O-CG 3.35Å; K521-K525 PolarHBondContact O-N 3.07Å
522	L	83.4	Confident	90.1	Very high	114 Å²	114	54.6 Å²	54.6	60%	0.597	26%	0.261	S	S	*	.	H	α-helix	trans	-50.8	-48.5	-172.5	-169	71.3	0	0	0	114.7	K525 L526 M663	L522-K525 WeakPolarHBondContact O-CB 3.36Å; L522-K525 PolarHBondContact O-N 2.65Å; L522-L526 WeakPolarHBondContact O-CG 3.42Å; L522-L526 PolarHBondContact O-N 3.11Å; L522-M663 HydrophobicContact CD1-CE 3.45Å; L522-M663 VanDerWaalsContact CD1-CE 3.45Å; L522-M663 HydrophobicContact CD1-SD 3.38Å; L522-M663 WeakPolarHBondContact CD1-SD 3.27Å; L522-M663 HydrophobicContact CG-CE 4.33Å
523	S	79.6	Confident	90.1	Very high	44 Å²	44	52.5 Å²	52.5	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-48.5	179.5	51.6	0	0	0	0	112	K521 K525 L526 L527	K521-S523 PolarHBondContact O-N 3.2Å; S523-K525 VanDerWaalsContact C-N 3.33Å; S523-K525 PolarHBondContact O-N 3.46Å; S523-L526 WeakPolarHBondContact O-CB 3.45Å; S523-L526 PolarHBondContact O-N 3.31Å; S523-L527 PolarHBondContact O-N 3.46Å
524	R	86.2	Confident	90.1	Very high	103 Å²	103	54.2 Å²	54.2	39%	0.389	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-33.9	176.7	-72.4	-168.4	179.6	-159.2	-8.2	113.2	A520 K521 L526 L527 L528 D716	A520-R524 HydrophobicContact CB-CB 3.91Å; K521-R524 PolarHBondContact O-N 2.88Å; R524-L526 VanDerWaalsContact C-N 3.28Å; R524-L526 PolarHBondContact O-N 3.1Å; R524-L527 PolarHBondContact O-N 2.53Å; R524-L528 WeakPolarHBondContact O-CB 3.32Å; R524-L528 WeakPolarHBondContact O-CG 3.44Å; R524-L528 PolarHBondContact O-N 3.17Å; R524-D716 IonicContact CZ-OD1 2.71Å; R524-D716 VanDerWaalsContact CZ-OD1 3.23Å; R524-D716 IonicContact NE-OD1 3.17Å; R524-D716 PolarHBondContact NE-OD1 3.43Å; R524-D716 IonicContact NH2-OD1 3.29Å; R524-D716 PolarHBondContact NH2-OD1 3.39Å
525	K	88.2	Confident	90.1	Very high	52 Å²	52	50.6 Å²	50.6	23%	0.226	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-45.8	173.1	-75.3	-165.3	-171.8	-157.1	0	110.6	Y517 L518 A520 K521 L522 S523 L528 A529	Y517-K525 HydrophobicContact CD2-CB 3.9Å; Y517-K525 HydrophobicContact CD2-CG 4.13Å; Y517-K525 VanDerWaalsContact CD2-O 3.26Å; Y517-K525 WeakPolarHBondContact CD2-O 3.15Å; Y517-K525 HydrophobicContact CE1-CD 4.35Å; Y517-K525 HydrophobicContact CE2-CB 3.51Å; Y517-K525 HydrophobicContact CE2-CD 4.32Å; Y517-K525 HydrophobicContact CE2-CG 4.03Å; Y517-K525 WeakPolarHBondContact CE2-O 3.4Å; Y517-K525 WeakPolarHBondContact O-CD 3.29Å; Y517-K525 WeakPolarHBondContact O-CE 3.36Å; Y517-K525 VanDerWaalsContact O-CG 3.31Å; Y517-K525 WeakPolarHBondContact O-CG 3.38Å; L518-K525 PolarHBondContact O-NZ 3.1Å; A520-K525 HydrophobicContact CB-CG 3.96Å; A520-K525 WeakPolarHBondContact O-CE 3.43Å; K521-K525 WeakPolarHBondContact O-CG 3.35Å; K521-K525 PolarHBondContact O-N 3.07Å; L522-K525 WeakPolarHBondContact O-CB 3.36Å; L522-K525 PolarHBondContact O-N 2.65Å; S523-K525 VanDerWaalsContact C-N 3.33Å; S523-K525 PolarHBondContact O-N 3.46Å; K525-L528 PolarHBondContact O-N 3Å; K525-A529 WeakPolarHBondContact O-CB 3.4Å; K525-A529 PolarHBondContact O-N 2.92Å
526	L	86.1	Confident	90.1	Very high	30 Å²	30	42.8 Å²	42.8	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-48.1	178.9	-63.9	162.8	0	0	0	111.3	L522 S523 R524 L528 A529 V530 H624 M663	L522-L526 WeakPolarHBondContact O-CG 3.42Å; L522-L526 PolarHBondContact O-N 3.11Å; S523-L526 WeakPolarHBondContact O-CB 3.45Å; S523-L526 PolarHBondContact O-N 3.31Å; R524-L526 VanDerWaalsContact C-N 3.28Å; R524-L526 PolarHBondContact O-N 3.1Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 PolarHBondContact O-N 2.79Å; L526-A529 PolarHBondContact O-N 2.71Å; L526-A529 VanDerWaalsContact O-N 3.16Å; L526-V530 WeakPolarHBondContact O-CG2 3.42Å; L526-V530 PolarHBondContact O-N 3.35Å; L526-H624 WeakPolarHBondContact CD1-CE1 3.41Å; L526-H624 WeakPolarHBondContact CD1-ND1 3.44Å; L526-H624 VanDerWaalsContact CD2-ND1 3.3Å; L526-H624 WeakPolarHBondContact CD2-ND1 3.39Å; L526-M663 HydrophobicContact CD2-CE 3.45Å; L526-M663 VanDerWaalsContact CD2-CE 3.45Å; L526-M663 HydrophobicContact CG-CE 3.89Å
527	L	89.7	Confident	90.2	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-44.3	177.6	-176.9	63.2	0	0	0	112	S523 R524 A529 V530 M531 Y561 V711 A714 A719	S523-L527 PolarHBondContact O-N 3.46Å; R524-L527 PolarHBondContact O-N 2.53Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.84Å; L527-V530 PolarHBondContact O-N 3.42Å; L527-M531 HydrophobicContact CD1-CG 3.91Å; L527-M531 HydrophobicContact CG-CG 4.36Å; L527-M531 WeakPolarHBondContact O-CB 3.44Å; L527-M531 WeakPolarHBondContact O-CG 3.22Å; L527-M531 PolarHBondContact O-N 2.76Å; L527-Y561 HydrophobicContact CD1-CD1 4.01Å; L527-V711 HydrophobicContact CD2-CG1 4.23Å; L527-V711 HydrophobicContact CG-CG1 4.18Å; L527-A714 HydrophobicContact CD2-CB 4.15Å; L527-A719 HydrophobicContact CB-CB 4.01Å; L527-A719 HydrophobicContact CD2-CB 4.04Å
528	L	91.7	Very high	90.2	Very high	7 Å²	7	40 Å²	40	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-35.5	177.3	-72.5	168.2	0	0	0	112.8	F513 Y517 A520 R524 K525 L526 L708 V711	F513-L528 HydrophobicContact CD1-CD2 3.96Å; F513-L528 HydrophobicContact CE1-CD2 4.3Å; Y517-L528 HydrophobicContact CD2-CB 4.2Å; A520-L528 HydrophobicContact CB-CD1 4Å; R524-L528 WeakPolarHBondContact O-CB 3.32Å; R524-L528 WeakPolarHBondContact O-CG 3.44Å; R524-L528 PolarHBondContact O-N 3.17Å; K525-L528 PolarHBondContact O-N 3Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 PolarHBondContact O-N 2.79Å; L528-L708 HydrophobicContact CD2-CD1 4.15Å; L528-V711 HydrophobicContact CD2-CG1 3.9Å
529	A	91.2	Very high	90.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-35.4	176.1	0	0	0	0	0	112.4	Y517 K525 L526 L527 K535 S659 T662 E664	Y517-A529 HydrophobicContact CE2-CB 4.05Å; K525-A529 WeakPolarHBondContact O-CB 3.4Å; K525-A529 PolarHBondContact O-N 2.92Å; L526-A529 PolarHBondContact O-N 2.71Å; L526-A529 VanDerWaalsContact O-N 3.16Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 2.84Å; A529-K535 PolarHBondContact O-NZ 2.94Å; A529-S659 PolarHBondContact O-OG 3.04Å; A529-T662 HydrophobicContact CB-CG2 3.93Å; A529-E664 HydrophobicContact CB-CG 4.39Å
530	V	91.6	Very high	90.4	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-44.2	175.6	173.8	0	0	0	0	110.8	L526 L527 N532 A562 Y566 I621	L526-V530 WeakPolarHBondContact O-CG2 3.42Å; L526-V530 PolarHBondContact O-N 3.35Å; L527-V530 PolarHBondContact O-N 3.42Å; V530-N532 PolarHBondContact O-N 3.47Å; V530-N532 VanDerWaalsContact O-N 3.09Å; V530-A562 HydrophobicContact CG1-CB 3.51Å; V530-Y566 PolarHBondContact O-OH 3.21Å; V530-Y566 VanDerWaalsContact O-OH 3.12Å; V530-I621 HydrophobicContact CG1-CG2 4.07Å
531	M	92.1	Very high	90.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	29.9	-177.5	-62.1	-64.8	-81.3	0	0	113.4	F513 L527 P533 Y561 A562 K565 Y566 F707 V711	F513-M531 HydrophobicContact CE1-CB 4.28Å; F513-M531 WeakPolarHBondContact CE1-O 3.48Å; F513-M531 WeakPolarHBondContact CZ-O 3.46Å; L527-M531 HydrophobicContact CD1-CG 3.91Å; L527-M531 HydrophobicContact CG-CG 4.36Å; L527-M531 WeakPolarHBondContact O-CB 3.44Å; L527-M531 WeakPolarHBondContact O-CG 3.22Å; L527-M531 PolarHBondContact O-N 2.76Å; M531-P533 WeakPolarHBondContact O-CD 3.3Å; M531-Y561 HydrophobicContact CE-CE1 4.12Å; M531-A562 HydrophobicContact SD-CB 3.7Å; M531-K565 HydrophobicContact CE-CB 3.88Å; M531-K565 HydrophobicContact CE-CG 3.98Å; M531-Y566 HydrophobicContact SD-CD2 4.4Å; M531-Y566 HydrophobicContact SD-CE2 3.95Å; M531-F707 HydrophobicContact CB-CE1 4.23Å; M531-F707 HydrophobicContact CB-CZ 4.4Å; M531-F707 HydrophobicContact CE-CE1 4.14Å; M531-F707 HydrophobicContact CE-CE2 3.56Å; M531-F707 HydrophobicContact CE-CZ 3.22Å; M531-F707 VanDerWaalsContact O-CE1 3.25Å; M531-F707 WeakPolarHBondContact O-CE1 3.48Å; M531-F707 HydrophobicContact SD-CZ 4.14Å; M531-V711 HydrophobicContact CB-CG1 4.25Å; M531-V711 HydrophobicContact CB-CG2 3.72Å; M531-V711 HydrophobicContact CE-CG2 3.79Å; M531-V711 HydrophobicContact CG-CG1 4.4Å; M531-V711 HydrophobicContact CG-CG2 3.96Å
532	N	93.4	Very high	91.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.			trans	-69	125.7	176.1	175.3	4.1	0	0	0	110.5	P508 M509 V530 N534 K535 F536 S659	P508-N532 PolarHBondContact O-ND2 3.33Å; M509-N532 HydrophobicContact SD-CB 3.74Å; M509-N532 PolarHBondContact SD-ND2 2.79Å; M509-N532 VanDerWaalsContact SD-ND2 3.37Å; V530-N532 PolarHBondContact O-N 3.47Å; V530-N532 VanDerWaalsContact O-N 3.09Å; N532-N534 VanDerWaalsContact C-N 3.27Å; N532-N534 PolarHBondContact O-N 3.3Å; N532-N534 PolarHBondContact OD1-N 2.87Å; N532-K535 HydrophobicContact CB-CB 3.85Å; N532-K535 WeakPolarHBondContact O-CA 3.43Å; N532-K535 WeakPolarHBondContact O-CB 3.19Å; N532-K535 PolarHBondContact O-N 3.2Å; N532-F536 PolarHBondContact O-N 3.2Å; N532-S659 PolarHBondContact ND2-OG 2.89Å
533	P	94	Very high	91.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56	-37.2	177.6	-26.3	34.1	0	0	0	114.2	T510 F513 M531 K535 F536 R537 L698 Q704 F707	T510-P533 HydrophobicContact CG2-CB 4.2Å; T510-P533 HydrophobicContact CG2-CG 4.11Å; F513-P533 HydrophobicContact CD2-CG 3.86Å; F513-P533 HydrophobicContact CE2-CG 3.41Å; F513-P533 VanDerWaalsContact CE2-CG 3.41Å; F513-P533 HydrophobicContact CZ-CG 3.97Å; M531-P533 WeakPolarHBondContact O-CD 3.3Å; P533-K535 VanDerWaalsContact C-N 3.32Å; P533-K535 PolarHBondContact O-N 2.88Å; P533-F536 WeakPolarHBondContact O-CB 3.4Å; P533-F536 PolarHBondContact O-N 3.06Å; P533-R537 WeakPolarHBondContact O-CG 3.15Å; P533-R537 PolarHBondContact O-N 3.42Å; P533-L698 HydrophobicContact CB-CB 4.46Å; P533-L698 HydrophobicContact CB-CD1 4.11Å; P533-Q704 HydrophobicContact CB-CG 3.88Å; P533-Q704 HydrophobicContact CG-CB 4.26Å; P533-Q704 HydrophobicContact CG-CG 4.12Å; P533-F707 HydrophobicContact CG-CD1 4.28Å
534	N	93.2	Very high	92.3	Very high	37 Å²	37	18.7 Å²	18.7	20%	0.198	8%	0.083	C	C	.	.	H	α-helix	trans	-67.3	-37.2	177.4	-70.7	-32.7	0	0	0	111.4	P508 N532 F536 R537 I538	P508-N534 WeakPolarHBondContact O-CB 3.11Å; P508-N534 PolarHBondContact O-ND2 3.4Å; N532-N534 VanDerWaalsContact C-N 3.27Å; N532-N534 PolarHBondContact O-N 3.3Å; N532-N534 PolarHBondContact OD1-N 2.87Å; N534-F536 VanDerWaalsContact C-N 3.34Å; N534-R537 PolarHBondContact O-N 3.41Å; N534-I538 WeakPolarHBondContact O-CB 3.31Å; N534-I538 VanDerWaalsContact O-CG1 3.29Å; N534-I538 WeakPolarHBondContact O-CG1 3.34Å; N534-I538 PolarHBondContact O-N 2.87Å
535	K	93.8	Very high	92.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.9	-40.7	173.9	-172.4	179.6	-76.7	-175.6	0	111	C507 A529 N532 P533 I538 C539 I621 L657 S659 E664	C507-K535 HydrophobicContact CB-CB 4.1Å; A529-K535 PolarHBondContact O-NZ 2.94Å; N532-K535 HydrophobicContact CB-CB 3.85Å; N532-K535 WeakPolarHBondContact O-CA 3.43Å; N532-K535 WeakPolarHBondContact O-CB 3.19Å; N532-K535 PolarHBondContact O-N 3.2Å; P533-K535 VanDerWaalsContact C-N 3.32Å; P533-K535 PolarHBondContact O-N 2.88Å; K535-I538 PolarHBondContact O-N 3.34Å; K535-C539 WeakPolarHBondContact O-CB 3.01Å; K535-C539 PolarHBondContact O-N 3.48Å; K535-I621 HydrophobicContact CD-CG2 3.87Å; K535-I621 HydrophobicContact CG-CG2 4.47Å; K535-I621 PolarHBondContact NZ-O 3.2Å; K535-I621 VanDerWaalsContact NZ-O 3.15Å; K535-L657 HydrophobicContact CD-CB 4.08Å; K535-L657 WeakPolarHBondContact CE-O 2.95Å; K535-L657 HydrophobicContact CG-CB 3.85Å; K535-L657 HydrophobicContact CG-CD1 4Å; K535-L657 PolarHBondContact NZ-O 2.99Å; K535-S659 WeakPolarHBondContact CE-OG 3.18Å; K535-S659 PolarHBondContact NZ-OG 2.88Å; K535-E664 IonicContact NZ-OE1 3.84Å; K535-E664 PolarHBondContact NZ-OE1 2.95Å; K535-E664 IonicContact NZ-OE2 2.76Å; K535-E664 PolarHBondContact NZ-OE2 3.2Å
536	F	94.1	Very high	92.8	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-49.4	173.7	-173.3	-77.1	0	0	0	112.1	N532 P533 N534 I538 C539 E540 Y566 A569 M570 L698	N532-F536 PolarHBondContact O-N 3.2Å; P533-F536 WeakPolarHBondContact O-CB 3.4Å; P533-F536 PolarHBondContact O-N 3.06Å; N534-F536 VanDerWaalsContact C-N 3.34Å; F536-I538 VanDerWaalsContact C-N 3.34Å; F536-I538 PolarHBondContact O-N 2.64Å; F536-C539 WeakPolarHBondContact O-CB 3.32Å; F536-C539 PolarHBondContact O-N 3.29Å; F536-E540 PolarHBondContact O-N 3.18Å; F536-Y566 HydrophobicContact CB-CE1 4.15Å; F536-Y566 AromaticContact CD2-CD1 3.83Å; F536-Y566 HydrophobicContact CD2-CD1 3.83Å; F536-Y566 HydrophobicContact CD2-CD2 4.12Å; F536-Y566 AromaticContact CD2-CE1 3.73Å; F536-Y566 HydrophobicContact CD2-CE1 3.73Å; F536-Y566 HydrophobicContact CD2-CE2 4.04Å; F536-Y566 HydrophobicContact CD2-CG 4.03Å; F536-Y566 AromaticContact CD2-CZ 3.84Å; F536-Y566 HydrophobicContact CE2-CD1 4.15Å; F536-Y566 HydrophobicContact CE2-CD2 4.46Å; F536-Y566 HydrophobicContact CE2-CG 4.14Å; F536-Y566 HydrophobicContact CG-CE1 4.23Å; F536-Y566 PolarHBondContact N-OH 2.69Å; F536-A569 HydrophobicContact CE2-CB 3.85Å; F536-A569 HydrophobicContact CZ-CB 3.52Å; F536-M570 HydrophobicContact CD1-CE 4.11Å; F536-M570 HydrophobicContact CD2-CE 4.14Å; F536-M570 HydrophobicContact CE1-CE 3.72Å; F536-M570 HydrophobicContact CE2-CE 3.81Å; F536-M570 HydrophobicContact CG-CE 4.28Å; F536-M570 HydrophobicContact CZ-CE 3.56Å; F536-M570 HydrophobicContact CZ-CG 4.08Å; F536-L698 HydrophobicContact CB-CD1 3.95Å; F536-L698 HydrophobicContact CD1-CD1 3.84Å; F536-L698 HydrophobicContact CD1-CG 4.37Å; F536-L698 HydrophobicContact CD2-CD1 4.45Å; F536-L698 HydrophobicContact CG-CD1 3.81Å
537	R	92.9	Very high	93	Very high	35 Å²	35	16.3 Å²	16.3	13%	0.132	7%	0.073	C	C	.	.	H	α-helix	trans	-58.2	-44.7	178.2	-72	173.8	68.8	76.1	-2.3	112.3	P533 N534 E540 F541 L696 S697 S699	P533-R537 WeakPolarHBondContact O-CG 3.15Å; P533-R537 PolarHBondContact O-N 3.42Å; N534-R537 PolarHBondContact O-N 3.41Å; R537-E540 PolarHBondContact O-N 3.16Å; R537-F541 WeakPolarHBondContact O-CB 3.49Å; R537-F541 PolarHBondContact O-N 2.93Å; R537-L696 HydrophobicContact CB-CD1 4.34Å; R537-L696 PolarHBondContact NH1-O 3.28Å; R537-S697 WeakPolarHBondContact CG-O 3.37Å; R537-S697 PolarHBondContact NH1-O 3.37Å; R537-S699 VanDerWaalsContact NH1-CB 3.34Å
538	I	94.1	Very high	93	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.062	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-43.7	177.6	-74.7	167.1	0	0	0	111	V505 C507 N534 K535 F536 F541 L542 L657 L688 M691	V505-I538 HydrophobicContact CB-CG2 4.44Å; V505-I538 HydrophobicContact CG1-CD1 4.25Å; V505-I538 HydrophobicContact CG1-CG2 3.77Å; C507-I538 HydrophobicContact CB-CD1 4.03Å; C507-I538 WeakPolarHBondContact SG-CD1 3.45Å; N534-I538 WeakPolarHBondContact O-CB 3.31Å; N534-I538 VanDerWaalsContact O-CG1 3.29Å; N534-I538 WeakPolarHBondContact O-CG1 3.34Å; N534-I538 PolarHBondContact O-N 2.87Å; K535-I538 PolarHBondContact O-N 3.34Å; F536-I538 VanDerWaalsContact C-N 3.34Å; F536-I538 PolarHBondContact O-N 2.64Å; I538-F541 PolarHBondContact O-N 3.1Å; I538-L542 HydrophobicContact CG2-CD1 4.16Å; I538-L542 WeakPolarHBondContact O-CG 3.5Å; I538-L542 PolarHBondContact O-N 3.29Å; I538-L657 HydrophobicContact CG2-CD1 4.44Å; I538-L657 HydrophobicContact CG2-CD2 3.63Å; I538-L688 HydrophobicContact CB-CD1 4.4Å; I538-L688 HydrophobicContact CG1-CD1 4.21Å; I538-L688 HydrophobicContact CG2-CD1 3.73Å; I538-M691 HydrophobicContact CG1-SD 4.05Å
539	C	94.8	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-46.4	175.9	-173.4	0	0	0	0	111.5	K535 F536 F541 L542 I543 Y566 M570 L657	K535-C539 WeakPolarHBondContact O-CB 3.01Å; K535-C539 PolarHBondContact O-N 3.48Å; F536-C539 WeakPolarHBondContact O-CB 3.32Å; F536-C539 PolarHBondContact O-N 3.29Å; C539-F541 VanDerWaalsContact C-N 3.35Å; C539-F541 PolarHBondContact O-N 2.67Å; C539-L542 PolarHBondContact O-N 3.29Å; C539-I543 VanDerWaalsContact O-CG1 3.31Å; C539-I543 WeakPolarHBondContact O-CG1 3.3Å; C539-I543 PolarHBondContact O-N 3.41Å; C539-I543 VanDerWaalsContact O-N 3.08Å; C539-Y566 HydrophobicContact CB-CD1 4.38Å; C539-Y566 HydrophobicContact CB-CE1 4Å; C539-M570 HydrophobicContact CB-CE 4.11Å; C539-L657 HydrophobicContact CB-CD1 3.75Å
540	E	94.3	Very high	92.7	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-43.8	177.3	-170.2	-177.5	-178.5	0	0	111.6	F536 R537 I543 K544 M570 L696 S697	F536-E540 PolarHBondContact O-N 3.18Å; R537-E540 PolarHBondContact O-N 3.16Å; E540-I543 PolarHBondContact O-N 3.25Å; E540-K544 HydrophobicContact CG-CD 4.44Å; E540-K544 WeakPolarHBondContact O-CG 3.41Å; E540-K544 PolarHBondContact O-N 2.8Å; E540-K544 VanDerWaalsContact OE1-CE 3.3Å; E540-K544 WeakPolarHBondContact OE1-CE 3.42Å; E540-K544 IonicContact OE1-NZ 2.6Å; E540-K544 PolarHBondContact OE1-NZ 2.58Å; E540-M570 HydrophobicContact CB-CE 3.86Å; E540-M570 HydrophobicContact CB-SD 4.43Å; E540-L696 HydrophobicContact CB-CD2 4.2Å; E540-L696 HydrophobicContact CG-CD2 4.1Å; E540-S697 PolarHBondContact OE1-OG 2.91Å; E540-S697 WeakPolarHBondContact OE2-CB 3.18Å; E540-S697 PolarHBondContact OE2-N 2.83Å; E540-S697 PolarHBondContact OE2-OG 3.48Å; E540-S697 VanDerWaalsContact OE2-OG 3.13Å
541	F	94.5	Very high	92.6	Very high	14 Å²	14	33.3 Å²	33.3	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-47.7	177.6	175.7	-94.1	0	0	0	112.1	R537 I538 C539 I543 K544 Y545 L688 A689 G690 M691 E694 L696	R537-F541 WeakPolarHBondContact O-CB 3.49Å; R537-F541 PolarHBondContact O-N 2.93Å; I538-F541 PolarHBondContact O-N 3.1Å; C539-F541 VanDerWaalsContact C-N 3.35Å; C539-F541 PolarHBondContact O-N 2.67Å; F541-I543 VanDerWaalsContact C-N 3.31Å; F541-I543 PolarHBondContact O-N 2.91Å; F541-K544 PolarHBondContact O-N 3.16Å; F541-Y545 HydrophobicContact CZ-CD2 4.5Å; F541-Y545 VanDerWaalsContact O-CB 3.26Å; F541-Y545 WeakPolarHBondContact O-CB 3.32Å; F541-Y545 PolarHBondContact O-N 3.42Å; F541-L688 HydrophobicContact CD1-CB 4.27Å; F541-L688 HydrophobicContact CD1-CD1 3.81Å; F541-L688 HydrophobicContact CE1-CB 3.97Å; F541-L688 HydrophobicContact CE1-CD1 4.21Å; F541-A689 WeakPolarHBondContact CZ-O 3.32Å; F541-G690 WeakPolarHBondContact CE2-O 3.45Å; F541-M691 HydrophobicContact CD2-CB 4.35Å; F541-M691 HydrophobicContact CD2-CG 4.36Å; F541-M691 HydrophobicContact CE2-CB 4.46Å; F541-M691 HydrophobicContact CG-CG 4.44Å; F541-E694 HydrophobicContact CD2-CB 4.35Å; F541-E694 HydrophobicContact CD2-CG 3.89Å; F541-E694 HydrophobicContact CE2-CG 3.89Å; F541-L696 HydrophobicContact CB-CD1 4.2Å; F541-L696 HydrophobicContact CB-CD2 4.07Å
542	L	94.6	Very high	92.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-39	179.5	-71.5	174.6	0	0	0	111.9	I538 C539 Y545 H546 I619 Y655 L657 L688	I538-L542 HydrophobicContact CG2-CD1 4.16Å; I538-L542 WeakPolarHBondContact O-CG 3.5Å; I538-L542 PolarHBondContact O-N 3.29Å; C539-L542 PolarHBondContact O-N 3.29Å; L542-Y545 PolarHBondContact O-N 2.96Å; L542-H546 PolarHBondContact O-CD2 3.37Å; L542-H546 PolarHBondContact O-N 2.92Å; L542-H546 VanDerWaalsContact O-N 3.08Å; L542-I619 HydrophobicContact CB-CD1 3.76Å; L542-I619 HydrophobicContact CD1-CD1 4.43Å; L542-Y655 HydrophobicContact CD1-CD1 4.13Å; L542-Y655 HydrophobicContact CD1-CD2 4.27Å; L542-Y655 HydrophobicContact CD1-CG 3.88Å; L542-Y655 HydrophobicContact CD2-CD1 4.32Å; L542-Y655 HydrophobicContact CD2-CE1 4.11Å; L542-Y655 HydrophobicContact CD2-CE2 4.35Å; L542-L657 HydrophobicContact CD1-CD2 3.91Å; L542-L688 HydrophobicContact CD2-CD1 4.21Å; L542-L688 HydrophobicContact CD2-CD2 4.39Å; L542-L688 HydrophobicContact CG-CD1 4.33Å
543	I	94.2	Very high	92.6	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-53.1	175.3	-67.5	164	0	0	0	110	C539 E540 F541 Y545 H546 E547 I553 V555 M570 A599 F601 I619	C539-I543 VanDerWaalsContact O-CG1 3.31Å; C539-I543 WeakPolarHBondContact O-CG1 3.3Å; C539-I543 PolarHBondContact O-N 3.41Å; C539-I543 VanDerWaalsContact O-N 3.08Å; E540-I543 PolarHBondContact O-N 3.25Å; F541-I543 VanDerWaalsContact C-N 3.31Å; F541-I543 PolarHBondContact O-N 2.91Å; I543-Y545 VanDerWaalsContact C-N 3.28Å; I543-Y545 PolarHBondContact O-N 3.39Å; I543-H546 PolarHBondContact O-N 3.13Å; I543-E547 HydrophobicContact CG2-CG 4.21Å; I543-E547 WeakPolarHBondContact O-CB 3.2Å; I543-E547 VanDerWaalsContact O-CG 3.31Å; I543-E547 WeakPolarHBondContact O-CG 3.35Å; I543-E547 PolarHBondContact O-N 2.88Å; I543-I553 HydrophobicContact CG1-CG2 4.47Å; I543-I553 HydrophobicContact CG2-CD1 4.32Å; I543-V555 HydrophobicContact CD1-CG2 3.96Å; I543-V555 HydrophobicContact CG1-CG2 4.22Å; I543-M570 HydrophobicContact CD1-SD 3.49Å; I543-M570 WeakPolarHBondContact CD1-SD 3.3Å; I543-A599 HydrophobicContact CG2-CB 4.17Å; I543-F601 HydrophobicContact CD1-CE2 4.4Å; I543-F601 HydrophobicContact CD1-CZ 4.06Å; I543-I619 HydrophobicContact CG1-CD1 4.11Å
544	K	93.3	Very high	92.5	Very high	55 Å²	55	34.9 Å²	34.9	24%	0.239	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-39	178.6	-70.7	179.2	-175.3	172.4	0	112.2	E540 F541 R548 T695	E540-K544 HydrophobicContact CG-CD 4.44Å; E540-K544 WeakPolarHBondContact O-CG 3.41Å; E540-K544 PolarHBondContact O-N 2.8Å; E540-K544 VanDerWaalsContact OE1-CE 3.3Å; E540-K544 WeakPolarHBondContact OE1-CE 3.42Å; E540-K544 IonicContact OE1-NZ 2.6Å; E540-K544 PolarHBondContact OE1-NZ 2.58Å; F541-K544 PolarHBondContact O-N 3.16Å; K544-R548 WeakPolarHBondContact O-CG 3.48Å; K544-R548 PolarHBondContact O-N 3.45Å; K544-T695 PolarHBondContact NZ-O 2.91Å
545	Y	92.9	Very high	92.5	Very high	83 Å²	83	33.1 Å²	33.1	33%	0.325	14%	0.142	S	C	.	.	H	α-helix	trans	-63.1	-40.5	179	178.2	-96.4	0	0	0	113	F541 L542 I543 R549	F541-Y545 HydrophobicContact CZ-CD2 4.5Å; F541-Y545 VanDerWaalsContact O-CB 3.26Å; F541-Y545 WeakPolarHBondContact O-CB 3.32Å; F541-Y545 PolarHBondContact O-N 3.42Å; L542-Y545 PolarHBondContact O-N 2.96Å; I543-Y545 VanDerWaalsContact C-N 3.28Å; I543-Y545 PolarHBondContact O-N 3.39Å; Y545-R549 VanDerWaalsContact CD1-NH1 3.32Å; Y545-R549 PolarHBondContact O-NH1 2.94Å; Y545-R549 PolarHBondContact OH-NH2 3.24Å
546	H	91.7	Very high	92.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-85.4	-26.9	178.7	-80.1	-70.3	0	0	0	113.5	L542 I543 R548 R549 N550 D551 I553 V617 F653 Y655	L542-H546 PolarHBondContact O-CD2 3.37Å; L542-H546 PolarHBondContact O-N 2.92Å; L542-H546 VanDerWaalsContact O-N 3.08Å; I543-H546 PolarHBondContact O-N 3.13Å; H546-R548 PolarHBondContact O-N 2.87Å; H546-R549 CarbonylContact O-C 3.59Å; H546-R549 WeakPolarHBondContact O-CA 3.43Å; H546-R549 WeakPolarHBondContact O-CB 3.17Å; H546-R549 PolarHBondContact O-N 3.33Å; H546-N550 PolarHBondContact O-N 3.32Å; H546-D551 HydrophobicContact CB-CB 4.21Å; H546-D551 IonicContact CE1-OD2 3.34Å; H546-D551 IonicContact CG-OD2 2.81Å; H546-D551 IonicContact ND1-OD2 3.4Å; H546-D551 PolarHBondContact ND1-OD2 3.26Å; H546-D551 PolarHBondContact O-N 3.13Å; H546-D551 VanDerWaalsContact O-N 3.15Å; H546-I553 HydrophobicContact CB-CD1 3.51Å; H546-I553 HydrophobicContact CB-CG1 3.88Å; H546-V617 HydrophobicContact CB-CG2 4.2Å; H546-V617 WeakPolarHBondContact ND1-CG2 3.43Å; H546-F653 AromaticContact CE1-CD2 3.68Å; H546-Y655 AromaticContact CD2-CE2 4Å; H546-Y655 AromaticContact NE2-CE2 3.31Å; H546-Y655 VanDerWaalsContact NE2-CE2 3.31Å; H546-Y655 WeakPolarHBondContact NE2-CE2 3.45Å; H546-Y655 AromaticContact NE2-CZ 3.69Å; H546-Y655 PolarHBondContact NE2-OH 3.44Å
547	E	91.1	Very high	92.2	Very high	51 Å²	51	33 Å²	33	24%	0.238	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-36.3	170.5	-76.9	-172.8	152.2	0	0	111.4	I543 R549 N550 I553 K572 N598	I543-E547 HydrophobicContact CG2-CG 4.21Å; I543-E547 WeakPolarHBondContact O-CB 3.2Å; I543-E547 VanDerWaalsContact O-CG 3.31Å; I543-E547 WeakPolarHBondContact O-CG 3.35Å; I543-E547 PolarHBondContact O-N 2.88Å; E547-R549 PolarHBondContact O-N 3.39Å; E547-N550 PolarHBondContact O-N 3.49Å; E547-N550 PolarHBondContact O-OD1 2.95Å; E547-I553 HydrophobicContact CG-CD1 3.96Å; E547-K572 WeakPolarHBondContact OE1-CE 3.37Å; E547-K572 IonicContact OE1-NZ 3.91Å; E547-K572 PolarHBondContact OE1-NZ 3.2Å; E547-K572 IonicContact OE2-NZ 3.73Å; E547-K572 PolarHBondContact OE2-NZ 3.49Å; E547-N598 HydrophobicContact CG-CB 4.49Å
548	R	90.3	Very high	91.9	Very high	151 Å²	151	31.7 Å²	31.7	57%	0.57	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.5	172.3	-70.4	172	-171.2	169.1	5.2	114	K544 H546 N550 E694	K544-R548 WeakPolarHBondContact O-CG 3.48Å; K544-R548 PolarHBondContact O-N 3.45Å; H546-R548 PolarHBondContact O-N 2.87Å; R548-N550 VanDerWaalsContact C-N 3.32Å; R548-E694 IonicContact CZ-OE1 3.1Å; R548-E694 IonicContact CZ-OE2 3.86Å; R548-E694 IonicContact NH1-OE1 2.68Å; R548-E694 PolarHBondContact NH1-OE1 2.88Å; R548-E694 IonicContact NH2-OE1 2.67Å; R548-E694 PolarHBondContact NH2-OE1 3.47Å; R548-E694 IonicContact NH2-OE2 2.79Å; R548-E694 PolarHBondContact NH2-OE2 3.4Å
549	R	88.5	Confident	91.6	Very high	103 Å²	103	31.8 Å²	31.8	39%	0.389	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.6	177.2	-70	175.3	170.8	67.1	7.3	113	Y545 H546 E547 D551 K642	Y545-R549 VanDerWaalsContact CD1-NH1 3.32Å; Y545-R549 PolarHBondContact O-NH1 2.94Å; Y545-R549 PolarHBondContact OH-NH2 3.24Å; H546-R549 CarbonylContact O-C 3.59Å; H546-R549 WeakPolarHBondContact O-CA 3.43Å; H546-R549 WeakPolarHBondContact O-CB 3.17Å; H546-R549 PolarHBondContact O-N 3.33Å; E547-R549 PolarHBondContact O-N 3.39Å; R549-D551 VanDerWaalsContact CB-OD2 3.26Å; R549-D551 WeakPolarHBondContact CB-OD2 3.48Å; R549-D551 PolarHBondContact O-N 3.25Å; R549-K642 PolarHBondContact O-NZ 3.3Å
550	N	87.9	Confident	91.3	Very high	121 Å²	121	33.1 Å²	33.1	65%	0.647	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.1	-170.9	-65.5	-42.4	0	0	0	112.6	H546 E547 R548	H546-N550 PolarHBondContact O-N 3.32Å; E547-N550 PolarHBondContact O-N 3.49Å; E547-N550 PolarHBondContact O-OD1 2.95Å; R548-N550 VanDerWaalsContact C-N 3.32Å
551	D	88.9	Confident	91.2	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	15%	0.149	C	C	.	.			trans	-83	148.7	175.9	-63.1	-31.4	0	0	0	110.4	H546 R549 N616 V617 K642	H546-D551 HydrophobicContact CB-CB 4.21Å; H546-D551 IonicContact CE1-OD2 3.34Å; H546-D551 IonicContact CG-OD2 2.81Å; H546-D551 IonicContact ND1-OD2 3.4Å; H546-D551 PolarHBondContact ND1-OD2 3.26Å; H546-D551 PolarHBondContact O-N 3.13Å; H546-D551 VanDerWaalsContact O-N 3.15Å; R549-D551 VanDerWaalsContact CB-OD2 3.26Å; R549-D551 WeakPolarHBondContact CB-OD2 3.48Å; R549-D551 PolarHBondContact O-N 3.25Å; D551-N616 HydrophobicContact CB-CB 4.22Å; D551-V617 HydrophobicContact CB-CG2 3.92Å; D551-K642 IonicContact OD1-NZ 3.1Å; D551-K642 PolarHBondContact OD1-NZ 3.23Å
552	K	90.6	Very high	91	Very high	33 Å²	33	33.4 Å²	33.4	14%	0.143	15%	0.146	C	C	.	.			trans	-84.4	124.9	171.9	-66.7	-61.6	-173.5	179.6	0	110.1	F591 N594 V597 N598 A615 N616 V617	K552-F591 HydrophobicContact CB-CE1 4.19Å; K552-F591 HydrophobicContact CB-CE2 4.37Å; K552-F591 HydrophobicContact CB-CZ 3.73Å; K552-F591 HydrophobicContact CD-CE1 4.48Å; K552-F591 HydrophobicContact CD-CE2 4.22Å; K552-F591 HydrophobicContact CD-CZ 4.2Å; K552-F591 VanDerWaalsContact CE-O 3.22Å; K552-F591 WeakPolarHBondContact CE-O 3.38Å; K552-F591 HydrophobicContact CG-CZ 4.4Å; K552-F591 PolarHBondContact NZ-O 2.87Å; K552-N594 PolarHBondContact NZ-O 2.84Å; K552-V597 PolarHBondContact NZ-O 3.01Å; K552-N598 PolarHBondContact NZ-OD1 3.49Å; K552-A615 HydrophobicContact CB-CB 4.39Å; K552-N616 PolarHBondContact N-OD1 3.48Å; K552-N616 PolarHBondContact O-N 3.42Å; K552-V617 PolarHBondContact O-N 2.86Å
553	I	93.9	Very high	90.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.4	-168.8	-50.4	165.2	0	0	0	109.5	I543 H546 E547 V555 F591 N598 A599 I600 V617 I619	I543-I553 HydrophobicContact CG1-CG2 4.47Å; I543-I553 HydrophobicContact CG2-CD1 4.32Å; H546-I553 HydrophobicContact CB-CD1 3.51Å; H546-I553 HydrophobicContact CB-CG1 3.88Å; E547-I553 HydrophobicContact CG-CD1 3.96Å; I553-V555 HydrophobicContact CG2-CG2 4.17Å; I553-F591 WeakPolarHBondContact O-CE2 3.32Å; I553-N598 PolarHBondContact N-O 3.01Å; I553-A599 HydrophobicContact CB-CB 4.18Å; I553-A599 VanDerWaalsContact O-CA 3.31Å; I553-A599 WeakPolarHBondContact O-CA 3.35Å; I553-I600 PolarHBondContact O-N 2.96Å; I553-I600 VanDerWaalsContact O-N 3.09Å; I553-V617 WeakPolarHBondContact CA-O 3.29Å; I553-V617 HydrophobicContact CB-CB 4.49Å; I553-V617 HydrophobicContact CG1-CB 4.19Å; I553-V617 HydrophobicContact CG2-CB 4.4Å; I553-V617 HydrophobicContact CG2-CG1 4.33Å; I553-I619 HydrophobicContact CG2-CD1 3.95Å; I553-I619 HydrophobicContact CG2-CG1 4.38Å
554	I	92.7	Very high	90.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	169.6	-63.6	-173.5	0	0	0	108.1	F591 I600 V602 L612 A615 V617 L618 I619 I638	I554-F591 HydrophobicContact CD1-CE1 4.38Å; I554-F591 HydrophobicContact CD1-CZ 4.38Å; I554-F591 HydrophobicContact CG1-CE1 4.32Å; I554-F591 HydrophobicContact CG1-CZ 3.84Å; I554-I600 HydrophobicContact CD1-CD1 4.22Å; I554-I600 HydrophobicContact CG1-CD1 4.11Å; I554-I600 HydrophobicContact CG1-CG1 3.89Å; I554-V602 HydrophobicContact CG2-CB 4.49Å; I554-V602 HydrophobicContact CG2-CG2 4.01Å; I554-L612 HydrophobicContact CD1-CD2 4.45Å; I554-A615 HydrophobicContact CB-CB 4.49Å; I554-A615 HydrophobicContact CD1-CB 3.71Å; I554-A615 HydrophobicContact CG1-CB 3.69Å; I554-V617 PolarHBondContact N-O 3.03Å; I554-L618 HydrophobicContact CB-CD1 4.24Å; I554-L618 HydrophobicContact CG2-CD1 4.08Å; I554-L618 WeakPolarHBondContact O-CA 3.34Å; I554-I619 PolarHBondContact O-N 3.42Å; I554-I638 HydrophobicContact CD1-CG2 3.84Å
555	V	94	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.4	175.4	-171.8	0	0	0	0	108.6	I543 I553 I600 F601 V602 I619 I621	I543-V555 HydrophobicContact CD1-CG2 3.96Å; I543-V555 HydrophobicContact CG1-CG2 4.22Å; I553-V555 HydrophobicContact CG2-CG2 4.17Å; V555-I600 PolarHBondContact N-O 3.36Å; V555-F601 HydrophobicContact CB-CD1 3.66Å; V555-F601 HydrophobicContact CB-CD2 4.48Å; V555-F601 HydrophobicContact CB-CE1 3.63Å; V555-F601 HydrophobicContact CB-CE2 4.45Å; V555-F601 HydrophobicContact CB-CG 4.11Å; V555-F601 HydrophobicContact CB-CZ 4.05Å; V555-F601 HydrophobicContact CG1-CD1 3.67Å; V555-F601 HydrophobicContact CG1-CE1 3.35Å; V555-F601 HydrophobicContact CG1-CZ 4.04Å; V555-F601 HydrophobicContact CG2-CE1 4.14Å; V555-F601 HydrophobicContact CG2-CE2 4.32Å; V555-F601 HydrophobicContact CG2-CZ 4.04Å; V555-F601 CarbonylContact O-C 3.58Å; V555-F601 VanDerWaalsContact O-CA 3.31Å; V555-F601 WeakPolarHBondContact O-CA 3.14Å; V555-V602 PolarHBondContact O-N 3.14Å; V555-I619 CarbonylContact C-O 3.59Å; V555-I619 WeakPolarHBondContact CA-O 3.36Å; V555-I619 HydrophobicContact CG1-CB 4.37Å; V555-I619 HydrophobicContact CG1-CG2 4.45Å; V555-I619 HydrophobicContact CG2-CB 4.34Å; V555-I619 HydrophobicContact CG2-CD1 4.42Å; V555-I621 HydrophobicContact CG1-CD1 3.44Å; V555-I621 VanDerWaalsContact CG1-CD1 3.44Å; V555-I621 HydrophobicContact CG1-CG1 3.77Å
556	F	91.4	Very high	90.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134	-175.3	-179.2	-83.3	0	0	0	111.4	D558 V602 S603 A606 L618 I619 Q620 I621 R634	F556-D558 WeakPolarHBondContact CE1-OD1 3.49Å; F556-D558 WeakPolarHBondContact CZ-OD1 3.21Å; F556-V602 WeakPolarHBondContact CA-O 3.49Å; F556-S603 WeakPolarHBondContact CE2-O 3.46Å; F556-A606 HydrophobicContact CD2-CB 4.16Å; F556-A606 HydrophobicContact CE2-CB 4.09Å; F556-L618 HydrophobicContact CB-CD1 4.26Å; F556-I619 PolarHBondContact N-O 3.02Å; F556-Q620 HydrophobicContact CD1-CG 4.23Å; F556-I621 PolarHBondContact O-N 3.22Å; F556-R634 VanDerWaalsContact CE2-CZ 3.43Å
557	S	90.1	Very high	91	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.144	C	C	.	.			trans	-146.4	129.4	168.8	-171.4	0	0	0	0	111.7	N559 V602 S603 S622	S557-N559 VanDerWaalsContact C-N 3.29Å; S557-N559 PolarHBondContact O-N 2.99Å; S557-V602 PolarHBondContact N-O 3.24Å; S557-V602 VanDerWaalsContact N-O 3.14Å; S557-S603 WeakPolarHBondContact O-CA 3.05Å; S557-S622 PolarHBondContact OG-OG 2.95Å
558	D	86.3	Confident	91.2	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.048	16%	0.158	C	C	.	.	S	Bend	trans	-68.1	-28.9	175.9	-54.8	-63.7	0	0	0	112.5	F556 S622 R634	F556-D558 WeakPolarHBondContact CE1-OD1 3.49Å; F556-D558 WeakPolarHBondContact CZ-OD1 3.21Å; D558-S622 PolarHBondContact N-OG 3.03Å; D558-S622 PolarHBondContact OD2-OG 2.81Å; D558-R634 IonicContact OD1-NH2 3.14Å
559	N	87.6	Confident	91.2	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.07	15%	0.154	C	C	.	.			trans	-90.7	115.4	-179	-177.5	-68.9	0	0	0	110.3	S557 Y561 A562 L563 D718	S557-N559 VanDerWaalsContact C-N 3.29Å; S557-N559 PolarHBondContact O-N 2.99Å; N559-Y561 VanDerWaalsContact C-N 3.33Å; N559-Y561 PolarHBondContact O-N 2.89Å; N559-Y561 WeakPolarHBondContact OD1-CA 3.24Å; N559-Y561 WeakPolarHBondContact OD1-CB 3.44Å; N559-Y561 PolarHBondContact OD1-N 3.06Å; N559-A562 HydrophobicContact CB-CB 4.15Å; N559-A562 PolarHBondContact O-N 3.37Å; N559-A562 PolarHBondContact OD1-N 3.16Å; N559-L563 WeakPolarHBondContact O-CB 3.17Å; N559-L563 PolarHBondContact O-N 2.88Å; N559-D718 PolarHBondContact ND2-O 3.14Å; N559-D718 PolarHBondContact OD1-O 3.18Å
560	V	89.2	Confident	91.3	Very high	28 Å²	28	26.7 Å²	26.7	17%	0.17	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-35.2	-176.3	-178	0	0	0	0	112.1	L563 K564 Y576 E722	V560-L563 PolarHBondContact O-N 3.46Å; V560-K564 HydrophobicContact CG1-CD 4.17Å; V560-K564 HydrophobicContact CG1-CG 4.42Å; V560-K564 WeakPolarHBondContact O-CB 3.28Å; V560-K564 WeakPolarHBondContact O-CG 3.47Å; V560-K564 PolarHBondContact O-N 3.02Å; V560-Y576 HydrophobicContact CG1-CD2 3.91Å; V560-Y576 HydrophobicContact CG1-CG 4.21Å; V560-E722 HydrophobicContact CG2-CB 3.82Å; V560-E722 HydrophobicContact CG2-CG 4.09Å
561	Y	91	Very high	91.6	Very high	39 Å²	39	27.6 Å²	27.6	15%	0.153	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-49.2	178.1	177.6	-96	0	0	0	111.1	L527 M531 N559 K564 K565 Q710 A714 D718	L527-Y561 HydrophobicContact CD1-CD1 4.01Å; M531-Y561 HydrophobicContact CE-CE1 4.12Å; N559-Y561 VanDerWaalsContact C-N 3.33Å; N559-Y561 PolarHBondContact O-N 2.89Å; N559-Y561 WeakPolarHBondContact OD1-CA 3.24Å; N559-Y561 WeakPolarHBondContact OD1-CB 3.44Å; N559-Y561 PolarHBondContact OD1-N 3.06Å; Y561-K564 PolarHBondContact O-N 3.38Å; Y561-K565 HydrophobicContact CD1-CG 4.45Å; Y561-K565 HydrophobicContact CE1-CG 4.14Å; Y561-K565 WeakPolarHBondContact O-CG 3.41Å; Y561-K565 PolarHBondContact O-N 2.95Å; Y561-K565 VanDerWaalsContact OH-CE 3.3Å; Y561-K565 WeakPolarHBondContact OH-CE 3.5Å; Y561-Q710 PolarHBondContact OH-O 3.24Å; Y561-A714 HydrophobicContact CE1-CB 4.12Å; Y561-A714 HydrophobicContact CE2-CB 4.33Å; Y561-D718 HydrophobicContact CD2-CB 3.87Å; Y561-D718 HydrophobicContact CG-CB 3.87Å
562	A	91.2	Very high	91.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-47.1	174.5	0	0	0	0	0	110.9	V530 M531 N559 K564 K565 Y566	V530-A562 HydrophobicContact CG1-CB 3.51Å; M531-A562 HydrophobicContact SD-CB 3.7Å; N559-A562 HydrophobicContact CB-CB 4.15Å; N559-A562 PolarHBondContact O-N 3.37Å; N559-A562 PolarHBondContact OD1-N 3.16Å; A562-K564 VanDerWaalsContact C-N 3.34Å; A562-K564 PolarHBondContact O-N 3.16Å; A562-K565 PolarHBondContact O-N 2.86Å; A562-Y566 WeakPolarHBondContact O-CD2 3.05Å; A562-Y566 PolarHBondContact O-N 3.19Å
563	L	92.6	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-52.9	-50	177.1	-169.9	83.9	0	0	0	112	N559 V560 Y566 A567 F601	N559-L563 WeakPolarHBondContact O-CB 3.17Å; N559-L563 PolarHBondContact O-N 2.88Å; V560-L563 PolarHBondContact O-N 3.46Å; L563-Y566 PolarHBondContact O-N 3.31Å; L563-A567 VanDerWaalsContact O-CB 3.25Å; L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 3.31Å; L563-F601 HydrophobicContact CD1-CB 3.82Å; L563-F601 HydrophobicContact CD1-CD1 3.99Å; L563-F601 HydrophobicContact CD1-CG 4.42Å; L563-F601 HydrophobicContact CG-CB 4.17Å
564	K	92.9	Very high	91.9	Very high	67 Å²	67	31.4 Å²	31.4	29%	0.291	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-46.1	178.8	-75.7	176.1	178.1	177.3	0	111.4	V560 Y561 A562 A567 I568 F574	V560-K564 HydrophobicContact CG1-CD 4.17Å; V560-K564 HydrophobicContact CG1-CG 4.42Å; V560-K564 WeakPolarHBondContact O-CB 3.28Å; V560-K564 WeakPolarHBondContact O-CG 3.47Å; V560-K564 PolarHBondContact O-N 3.02Å; Y561-K564 PolarHBondContact O-N 3.38Å; A562-K564 VanDerWaalsContact C-N 3.34Å; A562-K564 PolarHBondContact O-N 3.16Å; K564-A567 PolarHBondContact O-N 2.97Å; K564-I568 WeakPolarHBondContact O-CB 3.44Å; K564-I568 WeakPolarHBondContact O-CD1 3.35Å; K564-I568 WeakPolarHBondContact O-CG1 3.34Å; K564-I568 PolarHBondContact O-N 3.2Å; K564-F574 HydrophobicContact CG-CD2 4.26Å; K564-F574 HydrophobicContact CG-CE2 3.86Å; K564-F574 HydrophobicContact CG-CZ 4.45Å
565	K	92.6	Very high	91.8	Very high	63 Å²	63	31.5 Å²	31.5	27%	0.274	16%	0.16	S	C	.	.	H	α-helix	trans	-62.6	-44.7	179.6	-72.9	-71.2	-173.7	171.9	0	112.2	M531 Y561 A562 A569	M531-K565 HydrophobicContact CE-CB 3.88Å; M531-K565 HydrophobicContact CE-CG 3.98Å; Y561-K565 HydrophobicContact CD1-CG 4.45Å; Y561-K565 HydrophobicContact CE1-CG 4.14Å; Y561-K565 WeakPolarHBondContact O-CG 3.41Å; Y561-K565 PolarHBondContact O-N 2.95Å; Y561-K565 VanDerWaalsContact OH-CE 3.3Å; Y561-K565 WeakPolarHBondContact OH-CE 3.5Å; A562-K565 PolarHBondContact O-N 2.86Å; K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.38Å; K565-A569 PolarHBondContact O-N 3.39Å; K565-A569 VanDerWaalsContact O-N 3.12Å
566	Y	94.2	Very high	91.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-47.9	176	-84.9	-113.2	0	0	0	111.7	V530 M531 F536 C539 A562 L563 A569 M570 F601 I621	V530-Y566 PolarHBondContact O-OH 3.21Å; V530-Y566 VanDerWaalsContact O-OH 3.12Å; M531-Y566 HydrophobicContact SD-CD2 4.4Å; M531-Y566 HydrophobicContact SD-CE2 3.95Å; F536-Y566 HydrophobicContact CB-CE1 4.15Å; F536-Y566 AromaticContact CD2-CD1 3.83Å; F536-Y566 HydrophobicContact CD2-CD1 3.83Å; F536-Y566 HydrophobicContact CD2-CD2 4.12Å; F536-Y566 AromaticContact CD2-CE1 3.73Å; F536-Y566 HydrophobicContact CD2-CE1 3.73Å; F536-Y566 HydrophobicContact CD2-CE2 4.04Å; F536-Y566 HydrophobicContact CD2-CG 4.03Å; F536-Y566 AromaticContact CD2-CZ 3.84Å; F536-Y566 HydrophobicContact CE2-CD1 4.15Å; F536-Y566 HydrophobicContact CE2-CD2 4.46Å; F536-Y566 HydrophobicContact CE2-CG 4.14Å; F536-Y566 HydrophobicContact CG-CE1 4.23Å; F536-Y566 PolarHBondContact N-OH 2.69Å; C539-Y566 HydrophobicContact CB-CD1 4.38Å; C539-Y566 HydrophobicContact CB-CE1 4Å; A562-Y566 WeakPolarHBondContact O-CD2 3.05Å; A562-Y566 PolarHBondContact O-N 3.19Å; L563-Y566 PolarHBondContact O-N 3.31Å; Y566-A569 PolarHBondContact O-N 3.48Å; Y566-M570 HydrophobicContact CD1-CE 3.82Å; Y566-M570 HydrophobicContact CE1-CE 4.4Å; Y566-M570 WeakPolarHBondContact O-CB 3.48Å; Y566-M570 WeakPolarHBondContact O-CG 3.28Å; Y566-M570 PolarHBondContact O-N 3.37Å; Y566-F601 HydrophobicContact CD1-CE1 4.43Å; Y566-F601 HydrophobicContact CG-CE1 4.44Å; Y566-I621 HydrophobicContact CD1-CD1 3.52Å; Y566-I621 HydrophobicContact CE1-CD1 3.74Å; Y566-I621 HydrophobicContact CE1-CG1 4.41Å; Y566-I621 HydrophobicContact CE1-CG2 4.16Å; Y566-I621 HydrophobicContact CE2-CG2 4.41Å; Y566-I621 HydrophobicContact CG-CD1 3.95Å
567	A	94.2	Very high	91.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-43	-177.4	0	0	0	0	0	113	L563 K564 M570 E571 K572 F574 F601	L563-A567 VanDerWaalsContact O-CB 3.25Å; L563-A567 WeakPolarHBondContact O-CB 3.39Å; L563-A567 PolarHBondContact O-N 3.31Å; K564-A567 PolarHBondContact O-N 2.97Å; A567-M570 PolarHBondContact O-N 3.44Å; A567-E571 PolarHBondContact O-N 3.11Å; A567-K572 PolarHBondContact O-N 3.5Å; A567-F574 HydrophobicContact CB-CB 3.65Å; A567-F574 HydrophobicContact CB-CD1 3.64Å; A567-F574 HydrophobicContact CB-CG 3.89Å; A567-F601 HydrophobicContact CB-CB 4.08Å; A567-F601 HydrophobicContact CB-CD1 4.44Å; A567-F601 HydrophobicContact CB-CD2 3.89Å; A567-F601 HydrophobicContact CB-CE2 4.47Å; A567-F601 HydrophobicContact CB-CG 3.88Å
568	I	94	Very high	90.9	Very high	103 Å²	103	42.9 Å²	42.9	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-45.5	178	-67.8	166.9	0	0	0	110.5	K564 M570 E571	K564-I568 WeakPolarHBondContact O-CB 3.44Å; K564-I568 WeakPolarHBondContact O-CD1 3.35Å; K564-I568 WeakPolarHBondContact O-CG1 3.34Å; K564-I568 PolarHBondContact O-N 3.2Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 2.97Å; I568-E571 PolarHBondContact O-N 3.12Å
569	A	91.2	Very high	90.9	Very high	57 Å²	57	42.8 Å²	42.8	47%	0.471	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-29.2	-178.6	0	0	0	0	0	113	F536 K565 Y566	F536-A569 HydrophobicContact CE2-CB 3.85Å; F536-A569 HydrophobicContact CZ-CB 3.52Å; K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.38Å; K565-A569 PolarHBondContact O-N 3.39Å; K565-A569 VanDerWaalsContact O-N 3.12Å; Y566-A569 PolarHBondContact O-N 3.48Å
570	M	91.7	Very high	90.9	Very high	20 Å²	20	45.1 Å²	45.1	10%	0.099	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	3.2	178.2	-59.9	-177.4	-170.5	0	0	113.8	F536 C539 E540 I543 Y566 A567 I568 K572 F601	F536-M570 HydrophobicContact CD1-CE 4.11Å; F536-M570 HydrophobicContact CD2-CE 4.14Å; F536-M570 HydrophobicContact CE1-CE 3.72Å; F536-M570 HydrophobicContact CE2-CE 3.81Å; F536-M570 HydrophobicContact CG-CE 4.28Å; F536-M570 HydrophobicContact CZ-CE 3.56Å; F536-M570 HydrophobicContact CZ-CG 4.08Å; C539-M570 HydrophobicContact CB-CE 4.11Å; E540-M570 HydrophobicContact CB-CE 3.86Å; E540-M570 HydrophobicContact CB-SD 4.43Å; I543-M570 HydrophobicContact CD1-SD 3.49Å; I543-M570 WeakPolarHBondContact CD1-SD 3.3Å; Y566-M570 HydrophobicContact CD1-CE 3.82Å; Y566-M570 HydrophobicContact CE1-CE 4.4Å; Y566-M570 WeakPolarHBondContact O-CB 3.48Å; Y566-M570 WeakPolarHBondContact O-CG 3.28Å; Y566-M570 PolarHBondContact O-N 3.37Å; A567-M570 PolarHBondContact O-N 3.44Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 2.97Å; M570-K572 VanDerWaalsContact C-N 3.3Å; M570-K572 HydrophobicContact CB-CG 4.15Å; M570-K572 WeakPolarHBondContact O-CE 3.49Å; M570-K572 WeakPolarHBondContact O-CG 3.45Å; M570-K572 PolarHBondContact O-N 2.85Å; M570-F601 HydrophobicContact SD-CE2 4.45Å; M570-F601 HydrophobicContact SD-CZ 3.81Å
571	E	92.3	Very high	90.5	Very high	140 Å²	140	49.7 Å²	49.7	65%	0.654	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	40.4	-177.3	-56.6	-174.1	171.7	0	0	114.3	A567 I568	A567-E571 PolarHBondContact O-N 3.11Å; I568-E571 PolarHBondContact O-N 3.12Å
572	K	93.6	Very high	90.1	Very high	43 Å²	43	54.5 Å²	54.5	19%	0.187	29%	0.287	C	S	.	.			trans	-110.8	149.7	179.7	-56.3	-55.6	178.2	174.2	0	112.1	E547 A567 M570 A599 F601	E547-K572 WeakPolarHBondContact OE1-CE 3.37Å; E547-K572 IonicContact OE1-NZ 3.91Å; E547-K572 PolarHBondContact OE1-NZ 3.2Å; E547-K572 IonicContact OE2-NZ 3.73Å; E547-K572 PolarHBondContact OE2-NZ 3.49Å; A567-K572 PolarHBondContact O-N 3.5Å; M570-K572 VanDerWaalsContact C-N 3.3Å; M570-K572 HydrophobicContact CB-CG 4.15Å; M570-K572 WeakPolarHBondContact O-CE 3.49Å; M570-K572 WeakPolarHBondContact O-CG 3.45Å; M570-K572 PolarHBondContact O-N 2.85Å; K572-A599 HydrophobicContact CD-CB 4.12Å; K572-A599 HydrophobicContact CG-CB 4.28Å; K572-F601 HydrophobicContact CB-CD2 3.72Å; K572-F601 HydrophobicContact CB-CE2 3.7Å; K572-F601 HydrophobicContact CG-CD2 4.46Å; K572-F601 HydrophobicContact CG-CE2 3.95Å
573	P	93.3	Very high	90	Very high	34 Å²	34	58.2 Å²	58.2	22%	0.221	30%	0.304	C	S	.	.			trans	-63	146.3	174.4	-17.9	30.7	0	0	0	111.9	I587 V597 I600 F601	P573-I587 HydrophobicContact CB-CG2 3.98Å; P573-V597 HydrophobicContact CG-CG1 4.07Å; P573-I600 HydrophobicContact CB-CG2 4.34Å; P573-F601 PolarHBondContact O-N 2.69Å
574	F	93	Very high	89.7	Confident	41 Å²	41	59.4 Å²	59.4	18%	0.18	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.8	177.5	62.1	-83.1	0	0	0	112.5	K564 A567 Y576 F601	K564-F574 HydrophobicContact CG-CD2 4.26Å; K564-F574 HydrophobicContact CG-CE2 3.86Å; K564-F574 HydrophobicContact CG-CZ 4.45Å; A567-F574 HydrophobicContact CB-CB 3.65Å; A567-F574 HydrophobicContact CB-CD1 3.64Å; A567-F574 HydrophobicContact CB-CG 3.89Å; F574-Y576 AromaticContact CD2-CD1 3.64Å; F574-Y576 HydrophobicContact CD2-CD1 3.64Å; F574-Y576 AromaticContact CD2-CE1 3.91Å; F574-Y576 HydrophobicContact CD2-CE1 3.91Å; F574-Y576 AromaticContact CE2-CD1 3.64Å; F574-Y576 HydrophobicContact CE2-CD1 3.64Å; F574-Y576 AromaticContact CE2-CE1 3.41Å; F574-Y576 HydrophobicContact CE2-CE1 3.41Å; F574-Y576 VanDerWaalsContact CE2-CE1 3.41Å; F574-Y576 HydrophobicContact CZ-CE1 4.46Å; F574-F601 CarbonylContact C-O 3.56Å; F574-F601 WeakPolarHBondContact CA-O 3.18Å; F574-F601 HydrophobicContact CB-CB 3.7Å
575	L	90.6	Very high	89.3	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.4	-179.3	-66.2	178	0	0	0	110.7	T579 R584 I587 L588 F601 V602 S603	L575-T579 HydrophobicContact CD2-CG2 3.92Å; L575-R584 HydrophobicContact CD1-CG 4.46Å; L575-R584 HydrophobicContact CD2-CB 4.29Å; L575-R584 HydrophobicContact CD2-CG 4.1Å; L575-I587 HydrophobicContact CD1-CG2 4.27Å; L575-I587 HydrophobicContact CD2-CB 4.1Å; L575-I587 HydrophobicContact CD2-CD1 3.6Å; L575-I587 HydrophobicContact CD2-CG1 4.44Å; L575-I587 HydrophobicContact CD2-CG2 4.05Å; L575-I587 HydrophobicContact CG-CG2 4.15Å; L575-L588 HydrophobicContact CD1-CD2 3.68Å; L575-L588 HydrophobicContact CD1-CG 4.32Å; L575-F601 PolarHBondContact N-O 2.92Å; L575-V602 HydrophobicContact CB-CG1 4.17Å; L575-V602 HydrophobicContact CB-CG2 4.49Å; L575-V602 HydrophobicContact CD1-CG2 4.39Å; L575-S603 PolarHBondContact O-N 3.03Å; L575-S603 PolarHBondContact O-OG 2.71Å
576	Y	89.4	Confident	89.2	Confident	47 Å²	47	63.1 Å²	63.1	18%	0.184	33%	0.329	C	S	.	.			trans	-142.4	172.5	178.4	69.9	-69.9	0	0	0	111.4	V560 F574 E578 T579 S603	V560-Y576 HydrophobicContact CG1-CD2 3.91Å; V560-Y576 HydrophobicContact CG1-CG 4.21Å; F574-Y576 AromaticContact CD2-CD1 3.64Å; F574-Y576 HydrophobicContact CD2-CD1 3.64Å; F574-Y576 AromaticContact CD2-CE1 3.91Å; F574-Y576 HydrophobicContact CD2-CE1 3.91Å; F574-Y576 AromaticContact CE2-CD1 3.64Å; F574-Y576 HydrophobicContact CE2-CD1 3.64Å; F574-Y576 AromaticContact CE2-CE1 3.41Å; F574-Y576 HydrophobicContact CE2-CE1 3.41Å; F574-Y576 VanDerWaalsContact CE2-CE1 3.41Å; F574-Y576 HydrophobicContact CZ-CE1 4.46Å; Y576-E578 HydrophobicContact CD2-CB 4.14Å; Y576-E578 HydrophobicContact CD2-CG 4.31Å; Y576-E578 HydrophobicContact CE2-CB 3.58Å; Y576-E578 HydrophobicContact CE2-CG 3.91Å; Y576-E578 WeakPolarHBondContact CE2-OE2 3.16Å; Y576-E578 PolarHBondContact O-N 3.22Å; Y576-E578 VanDerWaalsContact O-N 3.14Å; Y576-T579 VanDerWaalsContact CD1-OG1 3.23Å; Y576-T579 WeakPolarHBondContact CD1-OG1 3.21Å; Y576-T579 WeakPolarHBondContact CE1-OG1 3.44Å; Y576-T579 PolarHBondContact N-OG1 2.83Å; Y576-T579 VanDerWaalsContact N-OG1 3.1Å; Y576-T579 VanDerWaalsContact O-CB 3.27Å; Y576-T579 WeakPolarHBondContact O-CB 3.13Å; Y576-T579 PolarHBondContact O-N 3.34Å; Y576-T579 PolarHBondContact O-OG1 2.95Å; Y576-S603 VanDerWaalsContact CA-OG 3.3Å; Y576-S603 WeakPolarHBondContact CA-OG 3.12Å
577	G	83.9	Confident	89	Confident	36 Å²	36	63.5 Å²	63.5	37%	0.371	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.6	-169.6	0	0	0	0	0	114.2	T579 E722	G577-T579 VanDerWaalsContact C-N 3.29Å; G577-T579 PolarHBondContact O-N 3.15Å; G577-E722 WeakPolarHBondContact CA-OE1 3.3Å; G577-E722 PolarHBondContact N-OE1 3.3Å
578	E	85	Confident	88.7	Confident	157 Å²	157	64.2 Å²	64.2	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.7	-178.5	-49.8	-178.4	147.8	0	0	114	Y576 S580	Y576-E578 HydrophobicContact CD2-CB 4.14Å; Y576-E578 HydrophobicContact CD2-CG 4.31Å; Y576-E578 HydrophobicContact CE2-CB 3.58Å; Y576-E578 HydrophobicContact CE2-CG 3.91Å; Y576-E578 WeakPolarHBondContact CE2-OE2 3.16Å; Y576-E578 PolarHBondContact O-N 3.22Å; Y576-E578 VanDerWaalsContact O-N 3.14Å; E578-S580 PolarHBondContact O-N 3.45Å
579	T	86.1	Confident	88.4	Confident	8 Å²	8	64 Å²	64	5%	0.049	33%	0.332	C	S	.	.	S	Bend	trans	-66.3	123	176.3	-52.3	0	0	0	0	110.2	L575 Y576 G577 E583 R584	L575-T579 HydrophobicContact CD2-CG2 3.92Å; Y576-T579 VanDerWaalsContact CD1-OG1 3.23Å; Y576-T579 WeakPolarHBondContact CD1-OG1 3.21Å; Y576-T579 WeakPolarHBondContact CE1-OG1 3.44Å; Y576-T579 PolarHBondContact N-OG1 2.83Å; Y576-T579 VanDerWaalsContact N-OG1 3.1Å; Y576-T579 VanDerWaalsContact O-CB 3.27Å; Y576-T579 WeakPolarHBondContact O-CB 3.13Å; Y576-T579 PolarHBondContact O-N 3.34Å; Y576-T579 PolarHBondContact O-OG1 2.95Å; G577-T579 VanDerWaalsContact C-N 3.29Å; G577-T579 PolarHBondContact O-N 3.15Å; T579-E583 HydrophobicContact CG2-CB 4.13Å; T579-E583 HydrophobicContact CG2-CG 3.95Å; T579-R584 HydrophobicContact CG2-CB 4.35Å; T579-R584 PolarHBondContact O-NH2 3.42Å
580	S	86	Confident	88.4	Confident	61 Å²	61	64.1 Å²	64.1	43%	0.427	32%	0.324	S	S	.	.			trans	-59.1	147.6	-179.4	72.4	0	0	0	0	112.2	E578 N582 E583 R584	E578-S580 PolarHBondContact O-N 3.45Å; S580-N582 VanDerWaalsContact C-N 3.27Å; S580-N582 PolarHBondContact O-N 2.71Å; S580-E583 PolarHBondContact O-N 3.2Å; S580-E583 WeakPolarHBondContact OG-CB 3.3Å; S580-E583 PolarHBondContact OG-N 3.01Å; S580-R584 WeakPolarHBondContact O-CB 3.27Å; S580-R584 PolarHBondContact O-N 3.37Å
581	Q	80.9	Confident	88.4	Confident	125 Å²	125	63.2 Å²	63.2	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-58.9	-37.4	-177.9	-65.3	-60.8	-20.5	0	0	112.9	R584 M585	Q581-R584 PolarHBondContact O-N 3.21Å; Q581-M585 WeakPolarHBondContact O-CB 3.32Å; Q581-M585 PolarHBondContact O-N 3.48Å
582	N	84.5	Confident	88.1	Confident	140 Å²	140	60.5 Å²	60.5	75%	0.749	31%	0.307	S	S	*	.	H	α-helix	trans	-66.7	-45.2	178.1	-68.7	-12.3	0	0	0	111.9	S580 M585 Q586	S580-N582 VanDerWaalsContact C-N 3.27Å; S580-N582 PolarHBondContact O-N 2.71Å; N582-M585 PolarHBondContact O-N 3.19Å; N582-Q586 PolarHBondContact O-N 3.41Å
583	E	88.6	Confident	87.8	Confident	78 Å²	78	66.9 Å²	66.9	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.7	-179.8	175.3	-164.6	0	0	111.1	T579 S580 M585 Q586 I587	T579-E583 HydrophobicContact CG2-CB 4.13Å; T579-E583 HydrophobicContact CG2-CG 3.95Å; S580-E583 PolarHBondContact O-N 3.2Å; S580-E583 WeakPolarHBondContact OG-CB 3.3Å; S580-E583 PolarHBondContact OG-N 3.01Å; E583-M585 PolarHBondContact O-N 3.37Å; E583-Q586 PolarHBondContact O-N 3.09Å; E583-I587 HydrophobicContact CG-CD1 3.89Å; E583-I587 WeakPolarHBondContact O-CG1 3.4Å; E583-I587 PolarHBondContact O-N 2.89Å
584	R	86.3	Confident	87.7	Confident	25 Å²	25	67.6 Å²	67.6	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-55.6	-52.1	174.6	-174.3	-177.6	-59.1	-175.4	1.1	110.7	L575 T579 S580 Q581 Q586 I587 L588	L575-R584 HydrophobicContact CD1-CG 4.46Å; L575-R584 HydrophobicContact CD2-CB 4.29Å; L575-R584 HydrophobicContact CD2-CG 4.1Å; T579-R584 HydrophobicContact CG2-CB 4.35Å; T579-R584 PolarHBondContact O-NH2 3.42Å; S580-R584 WeakPolarHBondContact O-CB 3.27Å; S580-R584 PolarHBondContact O-N 3.37Å; Q581-R584 PolarHBondContact O-N 3.21Å; R584-Q586 VanDerWaalsContact C-N 3.32Å; R584-Q586 PolarHBondContact O-N 2.89Å; R584-I587 PolarHBondContact O-N 2.95Å; R584-L588 HydrophobicContact CG-CD1 4.36Å; R584-L588 VanDerWaalsContact O-CG 3.3Å; R584-L588 WeakPolarHBondContact O-CG 2.97Å; R584-L588 PolarHBondContact O-N 2.9Å
585	M	84.6	Confident	87.4	Confident	111 Å²	111	70.3 Å²	70.3	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-42.1	178.3	-168.3	63.9	70.7	0	0	112	Q581 N582 E583 L588 Q589	Q581-M585 WeakPolarHBondContact O-CB 3.32Å; Q581-M585 PolarHBondContact O-N 3.48Å; N582-M585 PolarHBondContact O-N 3.19Å; E583-M585 PolarHBondContact O-N 3.37Å; M585-L588 PolarHBondContact O-N 2.9Å; M585-Q589 HydrophobicContact CG-CG 4.45Å; M585-Q589 WeakPolarHBondContact O-CB 3.27Å; M585-Q589 VanDerWaalsContact O-CG 3.29Å; M585-Q589 WeakPolarHBondContact O-CG 3.3Å; M585-Q589 PolarHBondContact O-N 3.34Å
586	Q	89.2	Confident	87.3	Confident	97 Å²	97	78.5 Å²	78.5	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-63.3	-42.8	177.6	-173.2	179.6	10.3	0	0	112.3	N582 E583 R584 N590	N582-Q586 PolarHBondContact O-N 3.41Å; E583-Q586 PolarHBondContact O-N 3.09Å; R584-Q586 VanDerWaalsContact C-N 3.32Å; R584-Q586 PolarHBondContact O-N 2.89Å; Q586-N590 VanDerWaalsContact O-CB 3.29Å; Q586-N590 WeakPolarHBondContact O-CB 3.39Å; Q586-N590 VanDerWaalsContact O-CG 3.25Å; Q586-N590 PolarHBondContact O-N 2.78Å; Q586-N590 PolarHBondContact O-ND2 2.98Å
587	I	90.5	Very high	87.3	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-44.5	177	-69.8	167.4	0	0	0	110.3	P573 L575 E583 R584 N590 F591 I600	P573-I587 HydrophobicContact CB-CG2 3.98Å; L575-I587 HydrophobicContact CD1-CG2 4.27Å; L575-I587 HydrophobicContact CD2-CB 4.1Å; L575-I587 HydrophobicContact CD2-CD1 3.6Å; L575-I587 HydrophobicContact CD2-CG1 4.44Å; L575-I587 HydrophobicContact CD2-CG2 4.05Å; L575-I587 HydrophobicContact CG-CG2 4.15Å; E583-I587 HydrophobicContact CG-CD1 3.89Å; E583-I587 WeakPolarHBondContact O-CG1 3.4Å; E583-I587 PolarHBondContact O-N 2.89Å; R584-I587 PolarHBondContact O-N 2.95Å; I587-N590 PolarHBondContact O-N 2.94Å; I587-F591 WeakPolarHBondContact O-CB 3.33Å; I587-F591 PolarHBondContact O-N 2.81Å; I587-I600 HydrophobicContact CG2-CG2 4.18Å
588	L	87.8	Confident	87.6	Confident	14 Å²	14	76.8 Å²	76.8	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-65.1	-45.4	179	-65.4	-176.8	0	0	0	112	L575 R584 M585 N590 F591 Q592 I600 F610 P613	L575-L588 HydrophobicContact CD1-CD2 3.68Å; L575-L588 HydrophobicContact CD1-CG 4.32Å; R584-L588 HydrophobicContact CG-CD1 4.36Å; R584-L588 VanDerWaalsContact O-CG 3.3Å; R584-L588 WeakPolarHBondContact O-CG 2.97Å; R584-L588 PolarHBondContact O-N 2.9Å; M585-L588 PolarHBondContact O-N 2.9Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.47Å; L588-F591 PolarHBondContact O-N 2.86Å; L588-Q592 WeakPolarHBondContact O-CG 3.48Å; L588-Q592 PolarHBondContact O-N 2.85Å; L588-I600 HydrophobicContact CD2-CD1 4.44Å; L588-F610 HydrophobicContact CD1-CD2 4.24Å; L588-F610 HydrophobicContact CD1-CE2 4.35Å; L588-P613 HydrophobicContact CD2-CG 4.05Å
589	Q	88.6	Confident	88	Confident	100 Å²	100	69.4 Å²	69.4	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.6	-74.3	176.6	-10.8	0	0	111.8	M585 Q592 Y593	M585-Q589 HydrophobicContact CG-CG 4.45Å; M585-Q589 WeakPolarHBondContact O-CB 3.27Å; M585-Q589 VanDerWaalsContact O-CG 3.29Å; M585-Q589 WeakPolarHBondContact O-CG 3.3Å; M585-Q589 PolarHBondContact O-N 3.34Å; Q589-Q592 PolarHBondContact O-N 2.91Å; Q589-Y593 HydrophobicContact CB-CD2 4.34Å; Q589-Y593 HydrophobicContact CG-CE2 4.5Å; Q589-Y593 VanDerWaalsContact O-CD2 3.28Å; Q589-Y593 WeakPolarHBondContact O-CD2 3.39Å; Q589-Y593 PolarHBondContact O-N 3.06Å
590	N	91.2	Very high	88.4	Confident	59 Å²	59	69 Å²	69	32%	0.316	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-44.6	174.1	-79.2	-29.1	0	0	0	111.1	Q586 I587 L588 Q592 N594	Q586-N590 VanDerWaalsContact O-CB 3.29Å; Q586-N590 WeakPolarHBondContact O-CB 3.39Å; Q586-N590 VanDerWaalsContact O-CG 3.25Å; Q586-N590 PolarHBondContact O-N 2.78Å; Q586-N590 PolarHBondContact O-ND2 2.98Å; I587-N590 PolarHBondContact O-N 2.94Å; L588-N590 VanDerWaalsContact C-N 3.34Å; L588-N590 PolarHBondContact O-N 3.47Å; N590-Q592 PolarHBondContact O-N 2.92Å; N590-N594 WeakPolarHBondContact O-CA 3.17Å; N590-N594 WeakPolarHBondContact O-CB 3.42Å; N590-N594 PolarHBondContact O-N 2.77Å
591	F	90.5	Very high	88.8	Confident	1 Å²	1	66.1 Å²	66.1	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-40	178.1	179.7	-98	0	0	0	112.8	K552 I553 I554 I587 L588 N598 I600 P613 A615	K552-F591 HydrophobicContact CB-CE1 4.19Å; K552-F591 HydrophobicContact CB-CE2 4.37Å; K552-F591 HydrophobicContact CB-CZ 3.73Å; K552-F591 HydrophobicContact CD-CE1 4.48Å; K552-F591 HydrophobicContact CD-CE2 4.22Å; K552-F591 HydrophobicContact CD-CZ 4.2Å; K552-F591 VanDerWaalsContact CE-O 3.22Å; K552-F591 WeakPolarHBondContact CE-O 3.38Å; K552-F591 HydrophobicContact CG-CZ 4.4Å; K552-F591 PolarHBondContact NZ-O 2.87Å; I553-F591 WeakPolarHBondContact O-CE2 3.32Å; I554-F591 HydrophobicContact CD1-CE1 4.38Å; I554-F591 HydrophobicContact CD1-CZ 4.38Å; I554-F591 HydrophobicContact CG1-CE1 4.32Å; I554-F591 HydrophobicContact CG1-CZ 3.84Å; I587-F591 WeakPolarHBondContact O-CB 3.33Å; I587-F591 PolarHBondContact O-N 2.81Å; L588-F591 PolarHBondContact O-N 2.86Å; F591-N598 WeakPolarHBondContact CE2-O 3.33Å; F591-I600 HydrophobicContact CB-CG2 4.04Å; F591-I600 HydrophobicContact CD1-CD1 4.19Å; F591-I600 HydrophobicContact CD2-CB 4.26Å; F591-I600 HydrophobicContact CD2-CD1 4.15Å; F591-I600 HydrophobicContact CD2-CG1 3.91Å; F591-I600 HydrophobicContact CD2-CG2 3.55Å; F591-I600 HydrophobicContact CE1-CD1 4.35Å; F591-I600 HydrophobicContact CE2-CB 4.48Å; F591-I600 HydrophobicContact CE2-CD1 4.3Å; F591-I600 HydrophobicContact CE2-CG1 3.82Å; F591-I600 HydrophobicContact CE2-CG2 4.23Å; F591-I600 HydrophobicContact CG-CD1 4.02Å; F591-I600 HydrophobicContact CG-CG1 4.3Å; F591-I600 HydrophobicContact CG-CG2 4.02Å; F591-I600 HydrophobicContact CZ-CD1 4.37Å; F591-I600 HydrophobicContact CZ-CG1 4.19Å; F591-P613 HydrophobicContact CD1-CB 3.64Å; F591-P613 HydrophobicContact CD1-CG 3.21Å; F591-P613 HydrophobicContact CE1-CB 3.94Å; F591-P613 HydrophobicContact CE1-CG 3.56Å; F591-P613 HydrophobicContact CG-CG 4.27Å; F591-A615 HydrophobicContact CZ-CB 4.35Å
592	Q	86.5	Confident	89.3	Confident	82 Å²	82	60.1 Å²	60.1	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-53.7	178.8	-72.8	-178	7.7	0	0	112.5	L588 Q589 N590 P613	L588-Q592 WeakPolarHBondContact O-CG 3.48Å; L588-Q592 PolarHBondContact O-N 2.85Å; Q589-Q592 PolarHBondContact O-N 2.91Å; N590-Q592 PolarHBondContact O-N 2.92Å; Q592-P613 HydrophobicContact CG-CB 3.31Å; Q592-P613 HydrophobicContact CG-CG 4.34Å
593	Y	88.4	Confident	89.5	Confident	178 Å²	178	53.5 Å²	53.5	70%	0.698	26%	0.256	S	S	*	.	H	α-helix	trans	-98.9	-25.5	-166.9	-58	-63.9	0	0	0	113.6	Q589 P595	Q589-Y593 HydrophobicContact CB-CD2 4.34Å; Q589-Y593 HydrophobicContact CG-CE2 4.5Å; Q589-Y593 VanDerWaalsContact O-CD2 3.28Å; Q589-Y593 WeakPolarHBondContact O-CD2 3.39Å; Q589-Y593 PolarHBondContact O-N 3.06Å; Y593-P595 WeakPolarHBondContact O-CD 3.31Å
594	N	90.6	Very high	89.2	Confident	49 Å²	49	51.8 Å²	51.8	26%	0.262	25%	0.248	S	C	.	.			trans	-89.8	115.3	-178.1	-165.8	-16.2	0	0	0	110.5	K552 N590 K596 V597	K552-N594 PolarHBondContact NZ-O 2.84Å; N590-N594 WeakPolarHBondContact O-CA 3.17Å; N590-N594 WeakPolarHBondContact O-CB 3.42Å; N590-N594 PolarHBondContact O-N 2.77Å; N594-K596 PolarHBondContact O-N 3.35Å; N594-K596 WeakPolarHBondContact OD1-CB 3.01Å; N594-K596 PolarHBondContact OD1-N 3.28Å; N594-V597 PolarHBondContact O-N 3.38Å
595	P	86.4	Confident	88.8	Confident	97 Å²	97	51.2 Å²	51.2	63%	0.63	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.2	177.6	29.8	-35.9	0	0	0	113.4	Y593 N598	Y593-P595 WeakPolarHBondContact O-CD 3.31Å; P595-N598 PolarHBondContact O-ND2 3.3Å; P595-N598 VanDerWaalsContact O-ND2 3.08Å; P595-N598 PolarHBondContact O-OD1 3.15Å
596	K	87.9	Confident	88.3	Confident	176 Å²	176	46.1 Å²	46.1	77%	0.765	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.3	175.2	-61.4	-176.3	179.4	-178.9	0	112.7	N594	N594-K596 PolarHBondContact O-N 3.35Å; N594-K596 WeakPolarHBondContact OD1-CB 3.01Å; N594-K596 PolarHBondContact OD1-N 3.28Å
597	V	89.6	Confident	87.4	Confident	34 Å²	34	42.9 Å²	42.9	21%	0.206	21%	0.209	C	C	.	.			trans	-106.7	92.8	-179.4	-176.1	0	0	0	0	107.9	K552 P573 N594 I600	K552-V597 PolarHBondContact NZ-O 3.01Å; P573-V597 HydrophobicContact CG-CG1 4.07Å; N594-V597 PolarHBondContact O-N 3.38Å; V597-I600 HydrophobicContact CG1-CG2 4.47Å
598	N	91.2	Very high	86.2	Confident	13 Å²	13	44.7 Å²	44.7	7%	0.07	22%	0.22	C	C	.	.			trans	-104	-9.4	-177.7	-66.8	-20.5	0	0	0	113.2	E547 K552 I553 F591 P595	E547-N598 HydrophobicContact CG-CB 4.49Å; K552-N598 PolarHBondContact NZ-OD1 3.49Å; I553-N598 PolarHBondContact N-O 3.01Å; F591-N598 WeakPolarHBondContact CE2-O 3.33Å; P595-N598 PolarHBondContact O-ND2 3.3Å; P595-N598 VanDerWaalsContact O-ND2 3.08Å; P595-N598 PolarHBondContact O-OD1 3.15Å
599	A	93.8	Very high	84.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.5	179.5	0	0	0	0	0	111.6	I543 I553 K572	I543-A599 HydrophobicContact CG2-CB 4.17Å; I553-A599 HydrophobicContact CB-CB 4.18Å; I553-A599 VanDerWaalsContact O-CA 3.31Å; I553-A599 WeakPolarHBondContact O-CA 3.35Å; K572-A599 HydrophobicContact CD-CB 4.12Å; K572-A599 HydrophobicContact CG-CB 4.28Å
600	I	93.9	Very high	83.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148	170.3	57.9	172.8	0	0	0	110.7	I553 I554 V555 P573 I587 L588 F591 V597 V602 P613	I553-I600 PolarHBondContact O-N 2.96Å; I553-I600 VanDerWaalsContact O-N 3.09Å; I554-I600 HydrophobicContact CD1-CD1 4.22Å; I554-I600 HydrophobicContact CG1-CD1 4.11Å; I554-I600 HydrophobicContact CG1-CG1 3.89Å; V555-I600 PolarHBondContact N-O 3.36Å; P573-I600 HydrophobicContact CB-CG2 4.34Å; I587-I600 HydrophobicContact CG2-CG2 4.18Å; L588-I600 HydrophobicContact CD2-CD1 4.44Å; F591-I600 HydrophobicContact CB-CG2 4.04Å; F591-I600 HydrophobicContact CD1-CD1 4.19Å; F591-I600 HydrophobicContact CD2-CB 4.26Å; F591-I600 HydrophobicContact CD2-CD1 4.15Å; F591-I600 HydrophobicContact CD2-CG1 3.91Å; F591-I600 HydrophobicContact CD2-CG2 3.55Å; F591-I600 HydrophobicContact CE1-CD1 4.35Å; F591-I600 HydrophobicContact CE2-CB 4.48Å; F591-I600 HydrophobicContact CE2-CD1 4.3Å; F591-I600 HydrophobicContact CE2-CG1 3.82Å; F591-I600 HydrophobicContact CE2-CG2 4.23Å; F591-I600 HydrophobicContact CG-CD1 4.02Å; F591-I600 HydrophobicContact CG-CG1 4.3Å; F591-I600 HydrophobicContact CG-CG2 4.02Å; F591-I600 HydrophobicContact CZ-CD1 4.37Å; F591-I600 HydrophobicContact CZ-CG1 4.19Å; V597-I600 HydrophobicContact CG1-CG2 4.47Å; I600-V602 HydrophobicContact CD1-CG2 3.94Å; I600-V602 HydrophobicContact CG1-CG2 4.14Å; I600-P613 HydrophobicContact CD1-CG 4.48Å
601	F	94.4	Very high	82.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.6	173	-79.3	-97.6	0	0	0	109.8	I543 V555 L563 Y566 A567 M570 K572 P573 F574 L575 I621	I543-F601 HydrophobicContact CD1-CE2 4.4Å; I543-F601 HydrophobicContact CD1-CZ 4.06Å; V555-F601 HydrophobicContact CB-CD1 3.66Å; V555-F601 HydrophobicContact CB-CD2 4.48Å; V555-F601 HydrophobicContact CB-CE1 3.63Å; V555-F601 HydrophobicContact CB-CE2 4.45Å; V555-F601 HydrophobicContact CB-CG 4.11Å; V555-F601 HydrophobicContact CB-CZ 4.05Å; V555-F601 HydrophobicContact CG1-CD1 3.67Å; V555-F601 HydrophobicContact CG1-CE1 3.35Å; V555-F601 HydrophobicContact CG1-CZ 4.04Å; V555-F601 HydrophobicContact CG2-CE1 4.14Å; V555-F601 HydrophobicContact CG2-CE2 4.32Å; V555-F601 HydrophobicContact CG2-CZ 4.04Å; V555-F601 CarbonylContact O-C 3.58Å; V555-F601 VanDerWaalsContact O-CA 3.31Å; V555-F601 WeakPolarHBondContact O-CA 3.14Å; L563-F601 HydrophobicContact CD1-CB 3.82Å; L563-F601 HydrophobicContact CD1-CD1 3.99Å; L563-F601 HydrophobicContact CD1-CG 4.42Å; L563-F601 HydrophobicContact CG-CB 4.17Å; Y566-F601 HydrophobicContact CD1-CE1 4.43Å; Y566-F601 HydrophobicContact CG-CE1 4.44Å; A567-F601 HydrophobicContact CB-CB 4.08Å; A567-F601 HydrophobicContact CB-CD1 4.44Å; A567-F601 HydrophobicContact CB-CD2 3.89Å; A567-F601 HydrophobicContact CB-CE2 4.47Å; A567-F601 HydrophobicContact CB-CG 3.88Å; M570-F601 HydrophobicContact SD-CE2 4.45Å; M570-F601 HydrophobicContact SD-CZ 3.81Å; K572-F601 HydrophobicContact CB-CD2 3.72Å; K572-F601 HydrophobicContact CB-CE2 3.7Å; K572-F601 HydrophobicContact CG-CD2 4.46Å; K572-F601 HydrophobicContact CG-CE2 3.95Å; P573-F601 PolarHBondContact O-N 2.69Å; F574-F601 CarbonylContact C-O 3.56Å; F574-F601 WeakPolarHBondContact CA-O 3.18Å; F574-F601 HydrophobicContact CB-CB 3.7Å; L575-F601 PolarHBondContact N-O 2.92Å; F601-I621 HydrophobicContact CE1-CD1 4.09Å
602	V	91	Very high	81.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.8	-179.2	-163.8	0	0	0	0	110.3	I554 V555 F556 S557 L575 I600 A606 F610 L612	I554-V602 HydrophobicContact CG2-CB 4.49Å; I554-V602 HydrophobicContact CG2-CG2 4.01Å; V555-V602 PolarHBondContact O-N 3.14Å; F556-V602 WeakPolarHBondContact CA-O 3.49Å; S557-V602 PolarHBondContact N-O 3.24Å; S557-V602 VanDerWaalsContact N-O 3.14Å; L575-V602 HydrophobicContact CB-CG1 4.17Å; L575-V602 HydrophobicContact CB-CG2 4.49Å; L575-V602 HydrophobicContact CD1-CG2 4.39Å; I600-V602 HydrophobicContact CD1-CG2 3.94Å; I600-V602 HydrophobicContact CG1-CG2 4.14Å; V602-A606 HydrophobicContact CB-CB 4.32Å; V602-A606 HydrophobicContact CG1-CB 3.58Å; V602-F610 HydrophobicContact CG1-CZ 4.12Å; V602-L612 HydrophobicContact CG2-CD2 4.4Å
603	S	88.7	Confident	81	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.			trans	-84.3	-172.8	173.7	57.6	0	0	0	0	112.6	F556 S557 L575 Y576 V605 A606 E722	F556-S603 WeakPolarHBondContact CE2-O 3.46Å; S557-S603 WeakPolarHBondContact O-CA 3.05Å; L575-S603 PolarHBondContact O-N 3.03Å; L575-S603 PolarHBondContact O-OG 2.71Å; Y576-S603 VanDerWaalsContact CA-OG 3.3Å; Y576-S603 WeakPolarHBondContact CA-OG 3.12Å; S603-V605 PolarHBondContact O-N 3.21Å; S603-V605 VanDerWaalsContact OG-CG2 3.3Å; S603-V605 WeakPolarHBondContact OG-CG2 3.19Å; S603-A606 VanDerWaalsContact O-CB 3.3Å; S603-A606 WeakPolarHBondContact O-CB 3.32Å; S603-A606 PolarHBondContact O-N 3.1Å; S603-E722 WeakPolarHBondContact CB-OE2 3.31Å; S603-E722 PolarHBondContact OG-OE2 3.23Å
604	K	81.4	Confident	80.5	Confident	42 Å²	42	38 Å²	38	18%	0.183	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-54.8	-19.4	174.6	-162.8	171.2	-174.9	174.6	0	114.2	A606 D607 E721 E722 V724	K604-A606 PolarHBondContact O-N 3.27Å; K604-D607 WeakPolarHBondContact O-CB 3.38Å; K604-D607 PolarHBondContact O-N 3.49Å; K604-E721 IonicContact NZ-OE2 3.77Å; K604-E721 PolarHBondContact NZ-OE2 3.46Å; K604-E722 WeakPolarHBondContact CD-O 3.24Å; K604-V724 HydrophobicContact CB-CG2 4.34Å; K604-V724 HydrophobicContact CD-CG2 4.41Å; K604-V724 HydrophobicContact CG-CG2 4.23Å
605	V	78.4	Confident	80.3	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.079	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-53.9	-29.5	171.4	-161.9	0	0	0	0	110.6	S603 D607 T608 F610	S603-V605 PolarHBondContact O-N 3.21Å; S603-V605 VanDerWaalsContact OG-CG2 3.3Å; S603-V605 WeakPolarHBondContact OG-CG2 3.19Å; V605-D607 PolarHBondContact O-N 3Å; V605-T608 WeakPolarHBondContact O-CA 3.47Å; V605-T608 WeakPolarHBondContact O-CB 3.46Å; V605-T608 PolarHBondContact O-N 2.86Å; V605-T608 PolarHBondContact O-OG1 3.47Å; V605-F610 HydrophobicContact CB-CE1 3.85Å; V605-F610 HydrophobicContact CG1-CD1 3.89Å; V605-F610 HydrophobicContact CG1-CE1 3.49Å; V605-F610 VanDerWaalsContact CG1-CE1 3.49Å; V605-F610 VanDerWaalsContact O-CD1 3.32Å; V605-F610 WeakPolarHBondContact O-CD1 3.33Å; V605-F610 WeakPolarHBondContact O-CE1 3.43Å
606	A	74.3	Confident	80.3	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.041	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-55.1	-31.4	174.7	0	0	0	0	0	115.3	F556 V602 S603 K604 L612	F556-A606 HydrophobicContact CD2-CB 4.16Å; F556-A606 HydrophobicContact CE2-CB 4.09Å; V602-A606 HydrophobicContact CB-CB 4.32Å; V602-A606 HydrophobicContact CG1-CB 3.58Å; S603-A606 VanDerWaalsContact O-CB 3.3Å; S603-A606 WeakPolarHBondContact O-CB 3.32Å; S603-A606 PolarHBondContact O-N 3.1Å; K604-A606 PolarHBondContact O-N 3.27Å; A606-L612 HydrophobicContact CB-CD1 3.59Å
607	D	70.9	Confident	80.5	Confident	29 Å²	29	23.8 Å²	23.8	16%	0.155	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-75	-26.3	179.6	-65.1	-33.1	0	0	0	111.5	K604 V605 R634 R637	K604-D607 WeakPolarHBondContact O-CB 3.38Å; K604-D607 PolarHBondContact O-N 3.49Å; V605-D607 PolarHBondContact O-N 3Å; D607-R634 VanDerWaalsContact CG-NH2 3.32Å; D607-R634 IonicContact OD1-CZ 2.69Å; D607-R634 IonicContact OD1-NE 3.66Å; D607-R634 PolarHBondContact OD1-NE 2.88Å; D607-R634 IonicContact OD1-NH2 3.66Å; D607-R634 PolarHBondContact OD1-NH2 3.46Å; D607-R634 IonicContact OD2-CZ 3.21Å; D607-R634 IonicContact OD2-NE 3.35Å; D607-R634 IonicContact OD2-NH2 2.69Å; D607-R634 PolarHBondContact OD2-NH2 3.36Å; D607-R637 PolarHBondContact O-NH1 3.46Å
608	T	64.9	Low	80.7	Confident	46 Å²	46	22.2 Å²	22.2	28%	0.282	12%	0.117	S	C	.	.	S	Bend	trans	-73.9	165.1	175	80	0	0	0	0	110.3	V605 F610 V724	V605-T608 WeakPolarHBondContact O-CA 3.47Å; V605-T608 WeakPolarHBondContact O-CB 3.46Å; V605-T608 PolarHBondContact O-N 2.86Å; V605-T608 PolarHBondContact O-OG1 3.47Å; T608-F610 PolarHBondContact O-N 3.08Å; T608-V724 HydrophobicContact CG2-CG1 3.85Å; T608-V724 HydrophobicContact CG2-CG2 4.32Å
609	S	55.6	Low	80.8	Confident	23 Å²	23	21.6 Å²	21.6	16%	0.161	11%	0.114	C	C	.	.	S	Bend	trans	-68	17.5	-159.9	50.8	0	0	0	0	117.8	S356 V358 Q362	S356-S609 WeakPolarHBondContact CB-OG 3.11Å; S356-S609 WeakPolarHBondContact OG-CB 3.16Å; S356-S609 PolarHBondContact OG-OG 2.85Å; V358-S609 WeakPolarHBondContact CB-O 3.41Å; V358-S609 WeakPolarHBondContact CG1-O 3.49Å; Q362-S609 PolarHBondContact NE2-O 3.05Å
610	F	66.4	Low	80.8	Confident	26 Å²	26	21.7 Å²	21.7	11%	0.114	11%	0.114	C	C	.	.	S	Bend	trans	-85.7	148.1	174.9	77	-100.2	0	0	0	111.6	L588 V602 V605 T608 L612	L588-F610 HydrophobicContact CD1-CD2 4.24Å; L588-F610 HydrophobicContact CD1-CE2 4.35Å; V602-F610 HydrophobicContact CG1-CZ 4.12Å; V605-F610 HydrophobicContact CB-CE1 3.85Å; V605-F610 HydrophobicContact CG1-CD1 3.89Å; V605-F610 HydrophobicContact CG1-CE1 3.49Å; V605-F610 VanDerWaalsContact CG1-CE1 3.49Å; V605-F610 VanDerWaalsContact O-CD1 3.32Å; V605-F610 WeakPolarHBondContact O-CD1 3.33Å; V605-F610 WeakPolarHBondContact O-CE1 3.43Å; T608-F610 PolarHBondContact O-N 3.08Å; F610-L612 HydrophobicContact CD2-CD2 4.42Å; F610-L612 HydrophobicContact CD2-CG 4.25Å; F610-L612 HydrophobicContact CE2-CD2 3.44Å; F610-L612 VanDerWaalsContact CE2-CD2 3.44Å; F610-L612 HydrophobicContact CE2-CG 3.65Å; F610-L612 HydrophobicContact CZ-CD2 3.92Å; F610-L612 HydrophobicContact CZ-CG 4.2Å; F610-L612 PolarHBondContact O-N 3.07Å; F610-L612 VanDerWaalsContact O-N 3.16Å
611	D	66.5	Low	80.6	Confident	120 Å²	120	21.7 Å²	21.7	64%	0.642	11%	0.114	S	C	*	.			trans	-76.3	104.9	-175.1	-164.1	15.3	0	0	0	109.9
612	L	73.4	Confident	79.9	Confident	19 Å²	19	21.9 Å²	21.9	10%	0.099	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-79	134.4	174.1	-81.5	163.6	0	0	0	109.6	I554 V602 A606 F610 I638	I554-L612 HydrophobicContact CD1-CD2 4.45Å; V602-L612 HydrophobicContact CG2-CD2 4.4Å; A606-L612 HydrophobicContact CB-CD1 3.59Å; F610-L612 HydrophobicContact CD2-CD2 4.42Å; F610-L612 HydrophobicContact CD2-CG 4.25Å; F610-L612 HydrophobicContact CE2-CD2 3.44Å; F610-L612 VanDerWaalsContact CE2-CD2 3.44Å; F610-L612 HydrophobicContact CE2-CG 3.65Å; F610-L612 HydrophobicContact CZ-CD2 3.92Å; F610-L612 HydrophobicContact CZ-CG 4.2Å; F610-L612 PolarHBondContact O-N 3.07Å; F610-L612 VanDerWaalsContact O-N 3.16Å; L612-I638 HydrophobicContact CD1-CD1 3.92Å; L612-I638 HydrophobicContact CD1-CG1 3.92Å
613	P	73.7	Confident	78.8	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.019	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-61	149.8	175.4	26.5	-35.9	0	0	0	111.8	L588 F591 Q592 I600 A615	L588-P613 HydrophobicContact CD2-CG 4.05Å; F591-P613 HydrophobicContact CD1-CB 3.64Å; F591-P613 HydrophobicContact CD1-CG 3.21Å; F591-P613 HydrophobicContact CE1-CB 3.94Å; F591-P613 HydrophobicContact CE1-CG 3.56Å; F591-P613 HydrophobicContact CG-CG 4.27Å; Q592-P613 HydrophobicContact CG-CB 3.31Å; Q592-P613 HydrophobicContact CG-CG 4.34Å; I600-P613 HydrophobicContact CD1-CG 4.48Å; P613-A615 PolarHBondContact O-N 3.01Å
614	E	78.5	Confident	77.7	Confident	103 Å²	103	25.4 Å²	25.4	48%	0.481	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-55.8	126	176.2	-53	-168.9	145.3	0	0	110.3	R640 R643	E614-R640 HydrophobicContact CB-CB 4.01Å; E614-R640 HydrophobicContact CB-CG 3.99Å; E614-R640 HydrophobicContact CG-CB 4.3Å; E614-R640 HydrophobicContact CG-CG 3.87Å; E614-R643 IonicContact OE2-NH2 2.78Å
615	A	85.2	Confident	76.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-126.5	153.6	175.4	0	0	0	0	0	111.3	K552 I554 F591 P613 I638 L639 R640	K552-A615 HydrophobicContact CB-CB 4.39Å; I554-A615 HydrophobicContact CB-CB 4.49Å; I554-A615 HydrophobicContact CD1-CB 3.71Å; I554-A615 HydrophobicContact CG1-CB 3.69Å; F591-A615 HydrophobicContact CZ-CB 4.35Å; P613-A615 PolarHBondContact O-N 3.01Å; A615-I638 HydrophobicContact CB-CG2 3.74Å; A615-I638 PolarHBondContact N-O 2.86Å; A615-I638 VanDerWaalsContact N-O 3.13Å; A615-L639 WeakPolarHBondContact O-CA 3.38Å; A615-R640 PolarHBondContact O-N 3.37Å
616	N	87.5	Confident	75.5	Confident	22 Å²	22	25 Å²	25	12%	0.118	14%	0.144	C	C	.	.	S	Bend	trans	-96.9	-27.3	178.3	-55.7	108.4	0	0	0	111.5	D551 K552 R640 K642 A652 F653	D551-N616 HydrophobicContact CB-CB 4.22Å; K552-N616 PolarHBondContact N-OD1 3.48Å; K552-N616 PolarHBondContact O-N 3.42Å; N616-R640 PolarHBondContact ND2-O 3.2Å; N616-K642 WeakPolarHBondContact ND2-CA 3.25Å; N616-A652 CarbonylContact O-C 3.51Å; N616-A652 VanDerWaalsContact O-CA 3.26Å; N616-A652 WeakPolarHBondContact O-CA 3.35Å; N616-F653 PolarHBondContact O-N 3.47Å
617	V	92.3	Very high	75.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.2	-174.7	-175.4	0	0	0	0	109.6	H546 D551 K552 I553 I554 I619 F653 Y655	H546-V617 HydrophobicContact CB-CG2 4.2Å; H546-V617 WeakPolarHBondContact ND1-CG2 3.43Å; D551-V617 HydrophobicContact CB-CG2 3.92Å; K552-V617 PolarHBondContact O-N 2.86Å; I553-V617 WeakPolarHBondContact CA-O 3.29Å; I553-V617 HydrophobicContact CB-CB 4.49Å; I553-V617 HydrophobicContact CG1-CB 4.19Å; I553-V617 HydrophobicContact CG2-CB 4.4Å; I553-V617 HydrophobicContact CG2-CG1 4.33Å; I554-V617 PolarHBondContact N-O 3.03Å; V617-I619 HydrophobicContact CG1-CG1 4.09Å; V617-F653 WeakPolarHBondContact CA-O 3.4Å; V617-F653 HydrophobicContact CG1-CB 4.39Å; V617-F653 HydrophobicContact CG2-CB 4.35Å; V617-F653 HydrophobicContact CG2-CD2 4.22Å; V617-Y655 HydrophobicContact CG1-CD2 3.92Å; V617-Y655 HydrophobicContact CG1-CE2 3.91Å
618	L	92.8	Very high	75.3	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.2	172.8	177.6	63.5	0	0	0	109	I554 F556 I638 L639 F653 F654 Y655	I554-L618 HydrophobicContact CB-CD1 4.24Å; I554-L618 HydrophobicContact CG2-CD1 4.08Å; I554-L618 WeakPolarHBondContact O-CA 3.34Å; F556-L618 HydrophobicContact CB-CD1 4.26Å; L618-I638 HydrophobicContact CD1-CD1 3.93Å; L618-I638 HydrophobicContact CD2-CD1 4.33Å; L618-L639 HydrophobicContact CB-CD2 4.03Å; L618-F653 PolarHBondContact N-O 3.38Å; L618-F654 HydrophobicContact CB-CD2 4.07Å; L618-F654 HydrophobicContact CD2-CD2 3.73Å; L618-F654 HydrophobicContact CD2-CE2 3.88Å; L618-F654 HydrophobicContact CG-CD2 3.87Å; L618-F654 HydrophobicContact CG-CE2 4.14Å; L618-F654 CarbonylContact O-C 3.42Å; L618-F654 WeakPolarHBondContact O-CA 3.3Å; L618-Y655 PolarHBondContact O-N 3.18Å
619	I	94.1	Very high	75.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.1	176.4	-56.7	175.7	0	0	0	108.3	L542 I543 I553 I554 V555 F556 V617 Y655 L657	L542-I619 HydrophobicContact CB-CD1 3.76Å; L542-I619 HydrophobicContact CD1-CD1 4.43Å; I543-I619 HydrophobicContact CG1-CD1 4.11Å; I553-I619 HydrophobicContact CG2-CD1 3.95Å; I553-I619 HydrophobicContact CG2-CG1 4.38Å; I554-I619 PolarHBondContact O-N 3.42Å; V555-I619 CarbonylContact C-O 3.59Å; V555-I619 WeakPolarHBondContact CA-O 3.36Å; V555-I619 HydrophobicContact CG1-CB 4.37Å; V555-I619 HydrophobicContact CG1-CG2 4.45Å; V555-I619 HydrophobicContact CG2-CB 4.34Å; V555-I619 HydrophobicContact CG2-CD1 4.42Å; F556-I619 PolarHBondContact N-O 3.02Å; V617-I619 HydrophobicContact CG1-CG1 4.09Å; I619-Y655 CarbonylContact C-O 3.58Å; I619-Y655 WeakPolarHBondContact CA-O 3.26Å; I619-Y655 HydrophobicContact CG1-CD2 4.09Å; I619-L657 HydrophobicContact CG2-CD1 3.98Å; I619-L657 HydrophobicContact CG2-CG 4.09Å
620	Q	92.1	Very high	76.6	Confident	3 Å²	3	30.3 Å²	30.3	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.2	176.3	-176.6	172	8.9	0	0	109.9	F556 S622 A623 E631 F654 Y655 L657	F556-Q620 HydrophobicContact CD1-CG 4.23Å; Q620-S622 WeakPolarHBondContact CG-O 3.39Å; Q620-S622 PolarHBondContact NE2-O 2.96Å; Q620-A623 HydrophobicContact CG-CB 4.42Å; Q620-E631 PolarHBondContact NE2-OE1 3.19Å; Q620-F654 HydrophobicContact CB-CE2 4.18Å; Q620-Y655 PolarHBondContact N-O 3.44Å; Q620-L657 PolarHBondContact O-N 2.93Å
621	I	91.2	Very high	77.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-87.5	-49.5	-178.5	-58.4	171.8	0	0	0	111.3	V530 K535 V555 F556 Y566 F601 L657	V530-I621 HydrophobicContact CG1-CG2 4.07Å; K535-I621 HydrophobicContact CD-CG2 3.87Å; K535-I621 HydrophobicContact CG-CG2 4.47Å; K535-I621 PolarHBondContact NZ-O 3.2Å; K535-I621 VanDerWaalsContact NZ-O 3.15Å; V555-I621 HydrophobicContact CG1-CD1 3.44Å; V555-I621 VanDerWaalsContact CG1-CD1 3.44Å; V555-I621 HydrophobicContact CG1-CG1 3.77Å; F556-I621 PolarHBondContact O-N 3.22Å; Y566-I621 HydrophobicContact CD1-CD1 3.52Å; Y566-I621 HydrophobicContact CE1-CD1 3.74Å; Y566-I621 HydrophobicContact CE1-CG1 4.41Å; Y566-I621 HydrophobicContact CE1-CG2 4.16Å; Y566-I621 HydrophobicContact CE2-CG2 4.41Å; Y566-I621 HydrophobicContact CG-CD1 3.95Å; F601-I621 HydrophobicContact CE1-CD1 4.09Å; I621-L657 HydrophobicContact CG1-CD1 4.47Å
622	S	79.9	Confident	77.5	Confident	4 Å²	4	24.5 Å²	24.5	3%	0.028	13%	0.129	C	C	.	.			trans	-110.8	140.3	178.1	66.2	0	0	0	0	108.5	S557 D558 Q620	S557-S622 PolarHBondContact OG-OG 2.95Å; D558-S622 PolarHBondContact N-OG 3.03Å; D558-S622 PolarHBondContact OD2-OG 2.81Å; Q620-S622 WeakPolarHBondContact CG-O 3.39Å; Q620-S622 PolarHBondContact NE2-O 2.96Å
623	A	67.3	Low	77.7	Confident	9 Å²	9	24.3 Å²	24.3	7%	0.074	13%	0.128	C	C	.	.			trans	-135.4	80.3	177.9	0	0	0	0	0	106.7	Q620	Q620-A623 HydrophobicContact CG-CB 4.42Å
624	H	66.3	Low	77.9	Confident	65 Å²	65	24.7 Å²	24.7	30%	0.301	13%	0.129	S	C	.	.			trans	-99.8	148.1	177.4	-163.6	79	0	0	0	110.4	L526 E721	L526-H624 WeakPolarHBondContact CD1-CE1 3.41Å; L526-H624 WeakPolarHBondContact CD1-ND1 3.44Å; L526-H624 VanDerWaalsContact CD2-ND1 3.3Å; L526-H624 WeakPolarHBondContact CD2-ND1 3.39Å; H624-E721 WeakPolarHBondContact CB-OE1 3.33Å; H624-E721 IonicContact CD2-OE1 3.81Å; H624-E721 PolarHBondContact CD2-OE1 2.88Å; H624-E721 IonicContact CG-OE1 2.88Å; H624-E721 IonicContact NE2-OE1 3.98Å
625	G	57.4	Low	78	Confident	25 Å²	25	19.9 Å²	19.9	26%	0.258	11%	0.107	S	C	.	.	S	Bend	trans	84.6	146.5	-176.7	0	0	0	0	0	113.8	S627	G625-S627 PolarHBondContact O-N 3.14Å; G625-S627 VanDerWaalsContact O-N 3.17Å
626	G	56.1	Low	77.5	Confident	22 Å²	22	20.3 Å²	20.3	23%	0.227	11%	0.111	C	C	.	.	S	Bend	trans	-72.7	3.7	177.2	0	0	0	0	0	114.6	R628	G626-R628 WeakPolarHBondContact O-CG 3.46Å; G626-R628 PolarHBondContact O-N 2.75Å
627	S	67.6	Low	76.9	Confident	28 Å²	28	23.2 Å²	23.2	20%	0.196	12%	0.12	C	C	.	.			trans	-72.7	61.3	-167.4	-166.8	0	0	0	0	113.3	E468 G625 R629 Q630 E631	E468-S627 WeakPolarHBondContact OE1-CA 3.42Å; E468-S627 PolarHBondContact OE1-N 2.96Å; G625-S627 PolarHBondContact O-N 3.14Å; G625-S627 VanDerWaalsContact O-N 3.17Å; S627-R629 PolarHBondContact O-N 3.46Å; S627-Q630 PolarHBondContact O-N 2.9Å; S627-Q630 WeakPolarHBondContact OG-CB 3.21Å; S627-Q630 VanDerWaalsContact OG-CG 3.25Å; S627-Q630 WeakPolarHBondContact OG-CG 3.23Å; S627-Q630 PolarHBondContact OG-OE1 3.13Å; S627-E631 PolarHBondContact O-N 2.98Å
628	R	73.6	Confident	76.1	Confident	81 Å²	81	23.2 Å²	23.2	31%	0.306	12%	0.12	S	C	.	.	H	α-helix	trans	-45.6	-34.1	171.2	-68.7	165	-74.6	172.5	3.1	111.7	G626 A632 F674	G626-R628 WeakPolarHBondContact O-CG 3.46Å; G626-R628 PolarHBondContact O-N 2.75Å; R628-A632 WeakPolarHBondContact O-CB 3.32Å; R628-A632 PolarHBondContact O-N 3.35Å; R628-A632 VanDerWaalsContact O-N 3.07Å; R628-F674 HydrophobicContact CB-CB 4.27Å; R628-F674 HydrophobicContact CB-CD1 4.15Å; R628-F674 HydrophobicContact CB-CD2 4.04Å; R628-F674 HydrophobicContact CB-CE2 4.48Å; R628-F674 HydrophobicContact CB-CG 3.86Å; R628-F674 HydrophobicContact CG-CB 4.1Å; R628-F674 HydrophobicContact CG-CG 4.24Å
629	R	71.5	Confident	75.2	Confident	25 Å²	25	23.4 Å²	23.4	9%	0.094	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-49.1	-179.2	-177.2	-120.7	-173.5	63.2	48.9	113	H439 T464 V466 S627 E631 A632 Q633	H439-R629 VanDerWaalsContact CB-CZ 3.41Å; H439-R629 PolarHBondContact CD2-NE 2.97Å; H439-R629 VanDerWaalsContact CD2-NE 3.3Å; H439-R629 PolarHBondContact CD2-NH1 3.2Å; H439-R629 PolarHBondContact CD2-NH2 3.41Å; H439-R629 VanDerWaalsContact CD2-NH2 3.31Å; H439-R629 PolarHBondContact CE1-NE 2.99Å; H439-R629 PolarHBondContact CE1-NH2 3.12Å; H439-R629 VanDerWaalsContact CE1-NH2 3.27Å; H439-R629 VanDerWaalsContact ND1-CZ 3.29Å; H439-R629 PolarHBondContact ND1-NH2 3.09Å; H439-R629 PolarHBondContact NE2-NE 3.1Å; T464-R629 PolarHBondContact O-NH2 2.83Å; T464-R629 WeakPolarHBondContact OG1-CG 3.35Å; T464-R629 PolarHBondContact OG1-NH2 3.46Å; V466-R629 PolarHBondContact O-NH1 3.01Å; S627-R629 PolarHBondContact O-N 3.46Å; R629-E631 VanDerWaalsContact C-N 3.32Å; R629-A632 PolarHBondContact O-N 3.27Å; R629-Q633 WeakPolarHBondContact O-CG 3.21Å; R629-Q633 PolarHBondContact O-N 3.24Å
630	Q	74.9	Confident	74.2	Confident	80 Å²	80	26.9 Å²	26.9	37%	0.374	13%	0.134	S	C	.	.	H	α-helix	trans	-65.1	-41	178.9	-76.9	168.8	-22.1	0	0	110.4	S627 A632 Q633 R634	S627-Q630 PolarHBondContact O-N 2.9Å; S627-Q630 WeakPolarHBondContact OG-CB 3.21Å; S627-Q630 VanDerWaalsContact OG-CG 3.25Å; S627-Q630 WeakPolarHBondContact OG-CG 3.23Å; S627-Q630 PolarHBondContact OG-OE1 3.13Å; Q630-A632 PolarHBondContact O-N 2.78Å; Q630-Q633 PolarHBondContact O-N 2.88Å; Q630-R634 VanDerWaalsContact O-CB 3.28Å; Q630-R634 WeakPolarHBondContact O-CB 3.49Å; Q630-R634 PolarHBondContact O-N 2.9Å
631	E	76.6	Confident	72.9	Confident	20 Å²	20	28.8 Å²	28.8	9%	0.093	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-44.6	177.6	-64.4	-179.3	152.9	0	0	112.3	Q620 S627 R629 R634 L635 R671	Q620-E631 PolarHBondContact NE2-OE1 3.19Å; S627-E631 PolarHBondContact O-N 2.98Å; R629-E631 VanDerWaalsContact C-N 3.32Å; E631-R634 WeakPolarHBondContact O-CB 3.39Å; E631-R634 PolarHBondContact O-N 2.88Å; E631-L635 WeakPolarHBondContact O-CB 3.3Å; E631-L635 PolarHBondContact O-N 3.37Å; E631-R671 VanDerWaalsContact CD-NE 3.26Å; E631-R671 IonicContact OE1-CZ 3.89Å; E631-R671 VanDerWaalsContact OE1-CZ 3.29Å; E631-R671 IonicContact OE1-NE 3.99Å; E631-R671 PolarHBondContact OE1-NE 3.23Å; E631-R671 IonicContact OE1-NH2 3.95Å; E631-R671 PolarHBondContact OE1-NH2 2.99Å; E631-R671 IonicContact OE2-CZ 2.69Å; E631-R671 IonicContact OE2-NE 2.95Å; E631-R671 PolarHBondContact OE2-NE 2.8Å; E631-R671 IonicContact OE2-NH2 2.73Å; E631-R671 PolarHBondContact OE2-NH2 3.25Å
632	A	75.8	Confident	71.7	Confident	3 Å²	3	31.6 Å²	31.6	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-39.4	177.1	0	0	0	0	0	112.7	R628 R629 Q630 G636 F674	R628-A632 WeakPolarHBondContact O-CB 3.32Å; R628-A632 PolarHBondContact O-N 3.35Å; R628-A632 VanDerWaalsContact O-N 3.07Å; R629-A632 PolarHBondContact O-N 3.27Å; Q630-A632 PolarHBondContact O-N 2.78Å; A632-G636 PolarHBondContact O-N 3.03Å; A632-F674 HydrophobicContact CB-CE1 3.57Å; A632-F674 HydrophobicContact CB-CZ 4.15Å
633	Q	76.9	Confident	70.7	Confident	15 Å²	15	42.2 Å²	42.2	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-42.9	174.5	-73.2	-172.9	-7.4	0	0	111.5	E437 H439 A463 T464 R629 Q630 G636 R637	E437-Q633 PolarHBondContact OE2-NE2 3.44Å; E437-Q633 VanDerWaalsContact OE2-NE2 3.1Å; H439-Q633 PolarHBondContact CE1-NE2 2.81Å; A463-Q633 HydrophobicContact CB-CG 4.01Å; T464-Q633 PolarHBondContact OG1-NE2 2.77Å; T464-Q633 VanDerWaalsContact OG1-NE2 3.17Å; R629-Q633 WeakPolarHBondContact O-CG 3.21Å; R629-Q633 PolarHBondContact O-N 3.24Å; Q630-Q633 PolarHBondContact O-N 2.88Å; Q633-G636 PolarHBondContact O-N 2.98Å; Q633-R637 WeakPolarHBondContact O-CB 3.44Å; Q633-R637 VanDerWaalsContact O-CG 3.26Å; Q633-R637 WeakPolarHBondContact O-CG 3.46Å; Q633-R637 PolarHBondContact O-N 3.49Å
634	R	79.5	Confident	70.3	Confident	11 Å²	11	45.5 Å²	45.5	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-49.3	176	-174.8	-167.6	-58.6	158.3	-1.7	111	F556 D558 D607 Q630 E631 G636 R637 I638	F556-R634 VanDerWaalsContact CE2-CZ 3.43Å; D558-R634 IonicContact OD1-NH2 3.14Å; D607-R634 VanDerWaalsContact CG-NH2 3.32Å; D607-R634 IonicContact OD1-CZ 2.69Å; D607-R634 IonicContact OD1-NE 3.66Å; D607-R634 PolarHBondContact OD1-NE 2.88Å; D607-R634 IonicContact OD1-NH2 3.66Å; D607-R634 PolarHBondContact OD1-NH2 3.46Å; D607-R634 IonicContact OD2-CZ 3.21Å; D607-R634 IonicContact OD2-NE 3.35Å; D607-R634 IonicContact OD2-NH2 2.69Å; D607-R634 PolarHBondContact OD2-NH2 3.36Å; Q630-R634 VanDerWaalsContact O-CB 3.28Å; Q630-R634 WeakPolarHBondContact O-CB 3.49Å; Q630-R634 PolarHBondContact O-N 2.9Å; E631-R634 WeakPolarHBondContact O-CB 3.39Å; E631-R634 PolarHBondContact O-N 2.88Å; R634-G636 VanDerWaalsContact C-N 3.35Å; R634-G636 PolarHBondContact O-N 3.22Å; R634-R637 PolarHBondContact O-N 3.28Å; R634-I638 HydrophobicContact CG-CD1 3.62Å; R634-I638 HydrophobicContact CG-CG1 4.46Å; R634-I638 WeakPolarHBondContact O-CB 3.25Å; R634-I638 WeakPolarHBondContact O-CG1 3.39Å; R634-I638 PolarHBondContact O-N 3.28Å
635	L	80	Confident	69.8	Low	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-49.1	177.2	-172.1	155.7	0	0	0	110.9	V500 E631 R637 L639 F654 Y680	V500-L635 HydrophobicContact CG1-CD2 4.26Å; V500-L635 HydrophobicContact CG2-CD2 4.2Å; E631-L635 WeakPolarHBondContact O-CB 3.3Å; E631-L635 PolarHBondContact O-N 3.37Å; L635-R637 PolarHBondContact O-N 3.27Å; L635-L639 HydrophobicContact CD2-CD1 3.86Å; L635-L639 HydrophobicContact CG-CD1 3.74Å; L635-L639 WeakPolarHBondContact O-CB 3.19Å; L635-L639 WeakPolarHBondContact O-CG 3.43Å; L635-L639 PolarHBondContact O-N 2.95Å; L635-L639 VanDerWaalsContact O-N 3.09Å; L635-F654 HydrophobicContact CD1-CB 4.06Å; L635-F654 HydrophobicContact CD1-CD1 3.7Å; L635-F654 HydrophobicContact CD1-CD2 4.25Å; L635-F654 HydrophobicContact CD1-CE1 4.18Å; L635-F654 HydrophobicContact CD1-CG 3.72Å; L635-Y680 HydrophobicContact CD2-CE1 3.76Å
636	G	73.7	Confident	69.8	Low	8 Å²	8	51.1 Å²	51.1	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-72	-24.2	179.2	0	0	0	0	0	115.2	A632 Q633 R634 R640	A632-G636 PolarHBondContact O-N 3.03Å; Q633-G636 PolarHBondContact O-N 2.98Å; R634-G636 VanDerWaalsContact C-N 3.35Å; R634-G636 PolarHBondContact O-N 3.22Å; G636-R640 PolarHBondContact O-NH1 3.26Å
637	R	74.6	Confident	69.9	Low	83 Å²	83	57.9 Å²	57.9	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-76.1	-46	176.1	-77.5	177.3	-175	178.8	4.6	111.4	C331 E437 D607 Q633 R634 L635 R640	C331-R637 HydrophobicContact CB-CG 3.74Å; E437-R637 IonicContact OE1-NH2 3.27Å; E437-R637 PolarHBondContact OE1-NH2 3.08Å; D607-R637 PolarHBondContact O-NH1 3.46Å; Q633-R637 WeakPolarHBondContact O-CB 3.44Å; Q633-R637 VanDerWaalsContact O-CG 3.26Å; Q633-R637 WeakPolarHBondContact O-CG 3.46Å; Q633-R637 PolarHBondContact O-N 3.49Å; R634-R637 PolarHBondContact O-N 3.28Å; L635-R637 PolarHBondContact O-N 3.27Å; R637-R640 PolarHBondContact O-NH1 2.82Å; R637-R640 PolarHBondContact O-NH2 2.94Å
638	I	76.3	Confident	69.7	Low	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-80.1	-45.5	-171.2	-66.3	177.1	0	0	0	111.8	I554 L612 A615 L618 R634 R640	I554-I638 HydrophobicContact CD1-CG2 3.84Å; L612-I638 HydrophobicContact CD1-CD1 3.92Å; L612-I638 HydrophobicContact CD1-CG1 3.92Å; A615-I638 HydrophobicContact CB-CG2 3.74Å; A615-I638 PolarHBondContact N-O 2.86Å; A615-I638 VanDerWaalsContact N-O 3.13Å; L618-I638 HydrophobicContact CD1-CD1 3.93Å; L618-I638 HydrophobicContact CD2-CD1 4.33Å; R634-I638 HydrophobicContact CG-CD1 3.62Å; R634-I638 HydrophobicContact CG-CG1 4.46Å; R634-I638 WeakPolarHBondContact O-CB 3.25Å; R634-I638 WeakPolarHBondContact O-CG1 3.39Å; R634-I638 PolarHBondContact O-N 3.28Å; I638-R640 PolarHBondContact O-N 3.48Å
639	L	74.4	Confident	69.4	Low	5 Å²	5	65.4 Å²	65.4	3%	0.026	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-76.3	124.2	-171.9	-62.7	178.9	0	0	0	110.9	V500 A615 L618 L635 A652 F654	V500-L639 HydrophobicContact CB-CD1 4.21Å; V500-L639 HydrophobicContact CG1-CD1 3.44Å; V500-L639 VanDerWaalsContact CG1-CD1 3.44Å; V500-L639 HydrophobicContact CG2-CB 4.26Å; V500-L639 HydrophobicContact CG2-CD1 3.64Å; A615-L639 WeakPolarHBondContact O-CA 3.38Å; L618-L639 HydrophobicContact CB-CD2 4.03Å; L635-L639 HydrophobicContact CD2-CD1 3.86Å; L635-L639 HydrophobicContact CG-CD1 3.74Å; L635-L639 WeakPolarHBondContact O-CB 3.19Å; L635-L639 WeakPolarHBondContact O-CG 3.43Å; L635-L639 PolarHBondContact O-N 2.95Å; L635-L639 VanDerWaalsContact O-N 3.09Å; L639-A652 HydrophobicContact CB-CB 4.18Å; L639-A652 HydrophobicContact CD1-CB 4.37Å; L639-A652 HydrophobicContact CD2-CB 4.27Å; L639-F654 HydrophobicContact CD1-CB 4.31Å
640	R	72.4	Confident	69.3	Low	73 Å²	73	66.7 Å²	66.7	28%	0.275	33%	0.329	S	S	.	.			trans	-132.8	152.5	175	-69.9	-71.4	-176.2	-84.9	-8.6	109.8	E614 A615 N616 G636 R637 I638 K642	E614-R640 HydrophobicContact CB-CB 4.01Å; E614-R640 HydrophobicContact CB-CG 3.99Å; E614-R640 HydrophobicContact CG-CB 4.3Å; E614-R640 HydrophobicContact CG-CG 3.87Å; A615-R640 PolarHBondContact O-N 3.37Å; N616-R640 PolarHBondContact ND2-O 3.2Å; G636-R640 PolarHBondContact O-NH1 3.26Å; R637-R640 PolarHBondContact O-NH1 2.82Å; R637-R640 PolarHBondContact O-NH2 2.94Å; I638-R640 PolarHBondContact O-N 3.48Å; R640-K642 PolarHBondContact O-N 3.24Å
641	A	64.6	Low	69.5	Low	44 Å²	44	64.1 Å²	64.1	36%	0.364	32%	0.317	S	S	.	.			trans	-65.9	135.4	-178.8	0	0	0	0	0	110.1	A498 R643 N651	A498-A641 HydrophobicContact CB-CB 4.12Å; A641-R643 PolarHBondContact O-N 3.47Å; A641-N651 WeakPolarHBondContact CB-ND2 3.25Å
642	K	65.4	Low	70	Confident	59 Å²	59	63.1 Å²	63.1	26%	0.257	31%	0.313	S	S	.	.			trans	-59.3	124	172.2	-170.4	170.6	-175.3	165.2	0	109.8	R549 D551 N616 R640 G644 G645	R549-K642 PolarHBondContact O-NZ 3.3Å; D551-K642 IonicContact OD1-NZ 3.1Å; D551-K642 PolarHBondContact OD1-NZ 3.23Å; N616-K642 WeakPolarHBondContact ND2-CA 3.25Å; R640-K642 PolarHBondContact O-N 3.24Å; K642-G644 PolarHBondContact O-N 3.38Å; K642-G645 PolarHBondContact O-N 2.97Å
643	R	60.1	Low	70.7	Confident	226 Å²	226	65 Å²	65	85%	0.853	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	104.9	172.8	-65	-174.2	-174	-172.3	2.2	108.3	E614 A641	E614-R643 IonicContact OE2-NH2 2.78Å; A641-R643 PolarHBondContact O-N 3.47Å
644	G	57.5	Low	71.4	Confident	78 Å²	78	64.6 Å²	64.6	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.3	-5.8	-176.9	0	0	0	0	0	115.8	K642 K646	K642-G644 PolarHBondContact O-N 3.38Å; G644-K646 PolarHBondContact O-N 3.17Å; G644-K646 VanDerWaalsContact O-N 3.12Å
645	G	57	Low	72.1	Confident	7 Å²	7	65 Å²	65	7%	0.072	32%	0.32	C	S	.	.			trans	-81.2	25.8	-178.5	0	0	0	0	0	115.6	K642 N647 E648	K642-G645 PolarHBondContact O-N 2.97Å; G645-N647 PolarHBondContact O-N 3.13Å; G645-N647 VanDerWaalsContact O-N 3.12Å; G645-E648 PolarHBondContact O-N 3.4Å
646	K	56.6	Low	72.6	Confident	202 Å²	202	64.9 Å²	64.9	88%	0.878	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	-175	-77.3	-172.8	176.8	-175.8	0	113.8	G644	G644-K646 PolarHBondContact O-N 3.17Å; G644-K646 VanDerWaalsContact O-N 3.12Å
647	N	59.8	Low	73.6	Confident	164 Å²	164	64.6 Å²	64.6	88%	0.877	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.2	-175.6	-65.7	0.2	0	0	0	113.8	G645	G645-N647 PolarHBondContact O-N 3.13Å; G645-N647 VanDerWaalsContact O-N 3.12Å
648	E	63	Low	74.5	Confident	106 Å²	106	60.8 Å²	60.8	50%	0.495	30%	0.302	S	S	.	.	S	Bend	trans	-87.1	136.6	178.1	-67.4	-178.8	160.1	0	0	109.8	G645 F650	G645-E648 PolarHBondContact O-N 3.4Å; E648-F650 WeakPolarHBondContact CB-O 3.2Å; E648-F650 PolarHBondContact O-N 2.95Å
649	Q	67.4	Low	75.4	Confident	161 Å²	161	60.7 Å²	60.7	75%	0.752	30%	0.301	S	S	*	.	S	Bend	trans	-57.2	-33.3	178.1	-71.8	179.7	-6.6	0	0	112.1
650	F	68.3	Low	76.3	Confident	52 Å²	52	62.8 Å²	62.8	23%	0.228	31%	0.311	C	S	.	.			trans	-133.2	134.6	175.5	-60.3	-80	0	0	0	109.1	R499 Q501 E648 F653	R499-F650 HydrophobicContact CB-CD1 4.27Å; Q501-F650 HydrophobicContact CB-CB 4.22Å; Q501-F650 HydrophobicContact CB-CD1 3.97Å; Q501-F650 HydrophobicContact CB-CG 3.98Å; Q501-F650 VanDerWaalsContact OE1-CD2 3.29Å; E648-F650 WeakPolarHBondContact CB-O 3.2Å; E648-F650 PolarHBondContact O-N 2.95Å; F650-F653 HydrophobicContact CB-CE1 4.36Å; F650-F653 HydrophobicContact CB-CZ 4.47Å
651	N	78.6	Confident	77.3	Confident	25 Å²	25	65 Å²	65	13%	0.134	33%	0.329	C	S	.	.	S	Bend	trans	-118.7	4.4	-177	60.9	5.4	0	0	0	113.2	A498 R499 A641	A498-N651 WeakPolarHBondContact CA-OD1 3.28Å; A498-N651 WeakPolarHBondContact CB-OD1 3.36Å; R499-N651 PolarHBondContact N-OD1 3.41Å; R499-N651 PolarHBondContact O-N 3.41Å; R499-N651 PolarHBondContact O-OD1 3.32Å; A641-N651 WeakPolarHBondContact CB-ND2 3.25Å
652	A	87.2	Confident	78.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.7	172.4	0	0	0	0	0	111	A498 R499 V500 Q501 N616 L639	A498-A652 HydrophobicContact CB-CB 3.89Å; R499-A652 PolarHBondContact O-N 3.33Å; V500-A652 WeakPolarHBondContact CA-O 3.31Å; V500-A652 HydrophobicContact CG2-CB 3.97Å; Q501-A652 PolarHBondContact N-O 2.93Å; N616-A652 CarbonylContact O-C 3.51Å; N616-A652 VanDerWaalsContact O-CA 3.26Å; N616-A652 WeakPolarHBondContact O-CA 3.35Å; L639-A652 HydrophobicContact CB-CB 4.18Å; L639-A652 HydrophobicContact CD1-CB 4.37Å; L639-A652 HydrophobicContact CD2-CB 4.27Å
653	F	90.5	Very high	79.6	Confident	42 Å²	42	63.1 Å²	63.1	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.6	-176.3	-59.2	-85.1	0	0	0	111.2	Q501 H546 N616 V617 L618 F650 Y655	Q501-F653 HydrophobicContact CB-CD1 3.94Å; Q501-F653 HydrophobicContact CB-CE1 4.28Å; Q501-F653 HydrophobicContact CG-CD1 4.44Å; H546-F653 AromaticContact CE1-CD2 3.68Å; N616-F653 PolarHBondContact O-N 3.47Å; V617-F653 WeakPolarHBondContact CA-O 3.4Å; V617-F653 HydrophobicContact CG1-CB 4.39Å; V617-F653 HydrophobicContact CG2-CB 4.35Å; V617-F653 HydrophobicContact CG2-CD2 4.22Å; L618-F653 PolarHBondContact N-O 3.38Å; F650-F653 HydrophobicContact CB-CE1 4.36Å; F650-F653 HydrophobicContact CB-CZ 4.47Å; F653-Y655 HydrophobicContact CB-CD2 4.4Å; F653-Y655 HydrophobicContact CB-CE2 3.69Å; F653-Y655 HydrophobicContact CG-CE2 4.46Å
654	F	92	Very high	80.9	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.5	173.2	173	-118.5	0	0	0	109.8	V500 Q501 C502 A503 L618 Q620 L635 L639 L675	V500-F654 HydrophobicContact CG1-CB 4Å; Q501-F654 PolarHBondContact O-N 2.8Å; C502-F654 CarbonylContact C-O 3.57Å; C502-F654 HydrophobicContact CB-CD1 4.1Å; A503-F654 PolarHBondContact N-O 2.9Å; L618-F654 HydrophobicContact CB-CD2 4.07Å; L618-F654 HydrophobicContact CD2-CD2 3.73Å; L618-F654 HydrophobicContact CD2-CE2 3.88Å; L618-F654 HydrophobicContact CG-CD2 3.87Å; L618-F654 HydrophobicContact CG-CE2 4.14Å; L618-F654 CarbonylContact O-C 3.42Å; L618-F654 WeakPolarHBondContact O-CA 3.3Å; Q620-F654 HydrophobicContact CB-CE2 4.18Å; L635-F654 HydrophobicContact CD1-CB 4.06Å; L635-F654 HydrophobicContact CD1-CD1 3.7Å; L635-F654 HydrophobicContact CD1-CD2 4.25Å; L635-F654 HydrophobicContact CD1-CE1 4.18Å; L635-F654 HydrophobicContact CD1-CG 3.72Å; L639-F654 HydrophobicContact CD1-CB 4.31Å; F654-L675 HydrophobicContact CE1-CD1 4.21Å
655	Y	93.7	Very high	82.4	Confident	21 Å²	21	50.8 Å²	50.8	8%	0.082	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.8	177.1	-63.3	-75	0	0	0	110.7	A503 V505 L542 H546 V617 L618 I619 Q620 F653	A503-Y655 HydrophobicContact CB-CD1 3.66Å; A503-Y655 HydrophobicContact CB-CE1 3.75Å; A503-Y655 CarbonylContact O-C 3.54Å; A503-Y655 VanDerWaalsContact O-CA 3.29Å; A503-Y655 WeakPolarHBondContact O-CA 3.46Å; V505-Y655 HydrophobicContact CG2-CD1 3.99Å; L542-Y655 HydrophobicContact CD1-CD1 4.13Å; L542-Y655 HydrophobicContact CD1-CD2 4.27Å; L542-Y655 HydrophobicContact CD1-CG 3.88Å; L542-Y655 HydrophobicContact CD2-CD1 4.32Å; L542-Y655 HydrophobicContact CD2-CE1 4.11Å; L542-Y655 HydrophobicContact CD2-CE2 4.35Å; H546-Y655 AromaticContact CD2-CE2 4Å; H546-Y655 AromaticContact NE2-CE2 3.31Å; H546-Y655 VanDerWaalsContact NE2-CE2 3.31Å; H546-Y655 WeakPolarHBondContact NE2-CE2 3.45Å; H546-Y655 AromaticContact NE2-CZ 3.69Å; H546-Y655 PolarHBondContact NE2-OH 3.44Å; V617-Y655 HydrophobicContact CG1-CD2 3.92Å; V617-Y655 HydrophobicContact CG1-CE2 3.91Å; L618-Y655 PolarHBondContact O-N 3.18Å; I619-Y655 CarbonylContact C-O 3.58Å; I619-Y655 WeakPolarHBondContact CA-O 3.26Å; I619-Y655 HydrophobicContact CG1-CD2 4.09Å; Q620-Y655 PolarHBondContact N-O 3.44Å; F653-Y655 HydrophobicContact CB-CD2 4.4Å; F653-Y655 HydrophobicContact CB-CE2 3.69Å; F653-Y655 HydrophobicContact CG-CE2 4.46Å
656	S	92.5	Very high	83.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113	170.1	175.9	0	0	0	0	108.9	A503 V505 R671	A503-S656 PolarHBondContact O-N 3.46Å; V505-S656 PolarHBondContact N-O 3.34Å; S656-R671 PolarHBondContact OG-NH1 2.95Å
657	L	94.4	Very high	85.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.5	179.2	-52.5	-174.1	0	0	0	110.2	V505 K535 I538 C539 L542 I619 Q620 I621	V505-L657 HydrophobicContact CB-CD2 3.79Å; V505-L657 HydrophobicContact CG1-CD2 4.46Å; V505-L657 HydrophobicContact CG2-CD2 4.14Å; K535-L657 HydrophobicContact CD-CB 4.08Å; K535-L657 WeakPolarHBondContact CE-O 2.95Å; K535-L657 HydrophobicContact CG-CB 3.85Å; K535-L657 HydrophobicContact CG-CD1 4Å; K535-L657 PolarHBondContact NZ-O 2.99Å; I538-L657 HydrophobicContact CG2-CD1 4.44Å; I538-L657 HydrophobicContact CG2-CD2 3.63Å; C539-L657 HydrophobicContact CB-CD1 3.75Å; L542-L657 HydrophobicContact CD1-CD2 3.91Å; I619-L657 HydrophobicContact CG2-CD1 3.98Å; I619-L657 HydrophobicContact CG2-CG 4.09Å; Q620-L657 PolarHBondContact O-N 2.93Å; I621-L657 HydrophobicContact CG1-CD1 4.47Å
658	V	93.7	Very high	86.4	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.1	-173.3	-178.1	0	0	0	0	110	E504 V505 C507 E664 M665	E504-V658 HydrophobicContact CG-CB 4.47Å; E504-V658 HydrophobicContact CG-CG2 3.81Å; E504-V658 WeakPolarHBondContact OE1-CG2 3.41Å; V505-V658 PolarHBondContact O-N 2.92Å; C507-V658 PolarHBondContact N-O 2.88Å; V658-E664 HydrophobicContact CG1-CB 3.91Å; V658-M665 HydrophobicContact CG1-CG 4.29Å; V658-M665 HydrophobicContact CG1-SD 3.64Å
659	S	94.1	Very high	87.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.2	174.8	-76.5	0	0	0	0	110.4	C507 M509 A529 N532 K535 T662 E664	C507-S659 WeakPolarHBondContact O-CA 3.41Å; M509-S659 VanDerWaalsContact SD-CB 3.57Å; A529-S659 PolarHBondContact O-OG 3.04Å; N532-S659 PolarHBondContact ND2-OG 2.89Å; K535-S659 WeakPolarHBondContact CE-OG 3.18Å; K535-S659 PolarHBondContact NZ-OG 2.88Å; S659-T662 PolarHBondContact O-OG1 3.29Å; S659-E664 WeakPolarHBondContact CB-OE2 3.37Å; S659-E664 PolarHBondContact N-OE2 3.26Å
660	Q	93.5	Very high	88.4	Confident	49 Å²	49	39.5 Å²	39.5	23%	0.229	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	150.4	179.8	-68	-178.6	-20.1	0	0	111.7	W506 C507 M509 T662	W506-Q660 HydrophobicContact CB-CG 3.89Å; W506-Q660 HydrophobicContact CG-CG 4.42Å; C507-Q660 PolarHBondContact O-N 2.85Å; M509-Q660 WeakPolarHBondContact CG-O 3.4Å; Q660-T662 WeakPolarHBondContact O-CG2 3.36Å; Q660-T662 PolarHBondContact O-N 3.09Å; Q660-T662 VanDerWaalsContact O-N 3.1Å
661	D	92.4	Very high	89.1	Confident	120 Å²	120	37.3 Å²	37.3	64%	0.642	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	22.7	179.4	-53.4	-37.7	0	0	0	115	Y514	Y514-D661 HydrophobicContact CE2-CB 3.97Å
662	T	91.1	Very high	89.5	Confident	11 Å²	11	39 Å²	39	7%	0.067	18%	0.178	C	C	.	.	S	Bend	trans	-112.9	168.7	173.9	74.1	0	0	0	0	111.8	M509 Y517 A529 S659 Q660 E664 M665	M509-T662 HydrophobicContact CE-CG2 4.44Å; M509-T662 HydrophobicContact CG-CG2 3.97Å; M509-T662 HydrophobicContact SD-CG2 4.06Å; Y517-T662 HydrophobicContact CE1-CG2 4.23Å; Y517-T662 HydrophobicContact CE2-CG2 4.03Å; Y517-T662 WeakPolarHBondContact OH-CA 3.47Å; Y517-T662 WeakPolarHBondContact OH-CB 3.46Å; A529-T662 HydrophobicContact CB-CG2 3.93Å; S659-T662 PolarHBondContact O-OG1 3.29Å; Q660-T662 WeakPolarHBondContact O-CG2 3.36Å; Q660-T662 PolarHBondContact O-N 3.09Å; Q660-T662 VanDerWaalsContact O-N 3.1Å; T662-E664 PolarHBondContact O-N 3.01Å; T662-E664 VanDerWaalsContact O-N 3.1Å; T662-E664 WeakPolarHBondContact OG1-CB 3.29Å; T662-E664 PolarHBondContact OG1-N 3.41Å; T662-M665 WeakPolarHBondContact O-CB 2.91Å; T662-M665 PolarHBondContact O-N 2.89Å; T662-M665 VanDerWaalsContact O-N 3.11Å
663	M	87.1	Confident	89.4	Confident	51 Å²	51	47.8 Å²	47.8	25%	0.251	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.2	172.6	-64.8	-171.4	-39.4	0	0	113.5	Y517 L522 L526 M665 S666 Y667	Y517-M663 WeakPolarHBondContact OH-CG 3.43Å; Y517-M663 PolarHBondContact OH-N 2.97Å; L522-M663 HydrophobicContact CD1-CE 3.45Å; L522-M663 VanDerWaalsContact CD1-CE 3.45Å; L522-M663 HydrophobicContact CD1-SD 3.38Å; L522-M663 WeakPolarHBondContact CD1-SD 3.27Å; L522-M663 HydrophobicContact CG-CE 4.33Å; L526-M663 HydrophobicContact CD2-CE 3.45Å; L526-M663 VanDerWaalsContact CD2-CE 3.45Å; L526-M663 HydrophobicContact CG-CE 3.89Å; M663-M665 PolarHBondContact O-N 3.13Å; M663-S666 WeakPolarHBondContact O-CB 3.4Å; M663-S666 PolarHBondContact O-N 2.96Å; M663-S666 PolarHBondContact O-OG 2.94Å; M663-Y667 HydrophobicContact CB-CE2 4.34Å; M663-Y667 VanDerWaalsContact O-CD2 3.24Å; M663-Y667 WeakPolarHBondContact O-CD2 3.49Å
664	E	88.1	Confident	89	Confident	11 Å²	11	46.5 Å²	46.5	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-32.5	176.8	-64.2	-174	157.6	0	0	112.1	A529 K535 V658 S659 T662 S666 Y667 S668	A529-E664 HydrophobicContact CB-CG 4.39Å; K535-E664 IonicContact NZ-OE1 3.84Å; K535-E664 PolarHBondContact NZ-OE1 2.95Å; K535-E664 IonicContact NZ-OE2 2.76Å; K535-E664 PolarHBondContact NZ-OE2 3.2Å; V658-E664 HydrophobicContact CG1-CB 3.91Å; S659-E664 WeakPolarHBondContact CB-OE2 3.37Å; S659-E664 PolarHBondContact N-OE2 3.26Å; T662-E664 PolarHBondContact O-N 3.01Å; T662-E664 VanDerWaalsContact O-N 3.1Å; T662-E664 WeakPolarHBondContact OG1-CB 3.29Å; T662-E664 PolarHBondContact OG1-N 3.41Å; E664-S666 VanDerWaalsContact C-N 3.27Å; E664-S666 PolarHBondContact O-N 2.7Å; E664-Y667 PolarHBondContact O-N 2.98Å; E664-S668 WeakPolarHBondContact O-CB 3.48Å; E664-S668 PolarHBondContact O-N 3Å
665	M	89.1	Confident	88.5	Confident	35 Å²	35	46.5 Å²	46.5	17%	0.172	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-35.8	177.1	-69.3	-66.7	-69.5	0	0	112.5	W506 V658 T662 M663 S668 R669	W506-M665 HydrophobicContact CD2-CE 4.47Å; W506-M665 HydrophobicContact CH2-CE 4.17Å; W506-M665 HydrophobicContact CZ2-CE 3.76Å; V658-M665 HydrophobicContact CG1-CG 4.29Å; V658-M665 HydrophobicContact CG1-SD 3.64Å; T662-M665 WeakPolarHBondContact O-CB 2.91Å; T662-M665 PolarHBondContact O-N 2.89Å; T662-M665 VanDerWaalsContact O-N 3.11Å; M663-M665 PolarHBondContact O-N 3.13Å; M665-S668 PolarHBondContact O-N 2.74Å; M665-R669 WeakPolarHBondContact O-CG 3.31Å; M665-R669 PolarHBondContact O-N 2.95Å
666	S	86.5	Confident	88.1	Confident	56 Å²	56	49.1 Å²	49.1	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-70.8	-35.8	178.8	75.8	0	0	0	0	112.7	M663 E664 R670	M663-S666 WeakPolarHBondContact O-CB 3.4Å; M663-S666 PolarHBondContact O-N 2.96Å; M663-S666 PolarHBondContact O-OG 2.94Å; E664-S666 VanDerWaalsContact C-N 3.27Å; E664-S666 PolarHBondContact O-N 2.7Å; S666-R670 PolarHBondContact O-NE 3.33Å
667	Y	85	Confident	87.5	Confident	48 Å²	48	51.6 Å²	51.6	19%	0.188	23%	0.234	C	C	.	.	H	α-helix	trans	-71.6	-40.2	173.3	-62.4	-73.4	0	0	0	110.2	M663 E664 R670 R671	M663-Y667 HydrophobicContact CB-CE2 4.34Å; M663-Y667 VanDerWaalsContact O-CD2 3.24Å; M663-Y667 WeakPolarHBondContact O-CD2 3.49Å; E664-Y667 PolarHBondContact O-N 2.98Å; Y667-R670 PolarHBondContact O-N 3.47Å; Y667-R671 PolarHBondContact O-N 3.48Å
668	S	86.2	Confident	86.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-44.4	179.5	-160.6	0	0	0	0	112.9	E504 E664 M665 R670 R671 Q672	E504-S668 VanDerWaalsContact OE1-CB 3.27Å; E504-S668 WeakPolarHBondContact OE1-CB 3.46Å; E504-S668 PolarHBondContact OE1-OG 2.97Å; E504-S668 PolarHBondContact OE2-OG 3.39Å; E664-S668 WeakPolarHBondContact O-CB 3.48Å; E664-S668 PolarHBondContact O-N 3Å; M665-S668 PolarHBondContact O-N 2.74Å; S668-R670 VanDerWaalsContact C-N 3.27Å; S668-R670 PolarHBondContact O-N 3.08Å; S668-R671 CarbonylContact O-C 3.56Å; S668-R671 WeakPolarHBondContact O-CB 3.29Å; S668-R671 PolarHBondContact O-N 3.36Å; S668-R671 VanDerWaalsContact O-N 3.09Å; S668-Q672 WeakPolarHBondContact O-CB 3.47Å; S668-Q672 PolarHBondContact O-N 3.38Å
669	R	87.6	Confident	85.7	Confident	179 Å²	179	54.1 Å²	54.1	68%	0.675	25%	0.252	S	S	*	.	H	α-helix	trans	-56.5	-40.5	174.2	-73.8	-178.6	-172.2	175.5	3.1	112.8	M665 R673	M665-R669 WeakPolarHBondContact O-CG 3.31Å; M665-R669 PolarHBondContact O-N 2.95Å; R669-R673 PolarHBondContact O-N 3.29Å; R669-R673 VanDerWaalsContact O-N 3.09Å
670	R	84	Confident	85	Confident	117 Å²	117	55.2 Å²	55.2	44%	0.442	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-39.7	177.3	-73.1	-176.6	-80.1	-179.1	-5.9	111.9	S666 Y667 S668 F674	S666-R670 PolarHBondContact O-NE 3.33Å; Y667-R670 PolarHBondContact O-N 3.47Å; S668-R670 VanDerWaalsContact C-N 3.27Å; S668-R670 PolarHBondContact O-N 3.08Å; R670-F674 WeakPolarHBondContact O-CB 3.34Å; R670-F674 PolarHBondContact O-N 2.97Å; R670-F674 VanDerWaalsContact O-N 3.13Å
671	R	84.2	Confident	84.5	Confident	7 Å²	7	55.3 Å²	55.3	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-46.7	174.5	-179.8	-172.2	-59.6	111.2	20	111.9	E631 S656 Y667 S668 R673 F674 L675	E631-R671 VanDerWaalsContact CD-NE 3.26Å; E631-R671 IonicContact OE1-CZ 3.89Å; E631-R671 VanDerWaalsContact OE1-CZ 3.29Å; E631-R671 IonicContact OE1-NE 3.99Å; E631-R671 PolarHBondContact OE1-NE 3.23Å; E631-R671 IonicContact OE1-NH2 3.95Å; E631-R671 PolarHBondContact OE1-NH2 2.99Å; E631-R671 IonicContact OE2-CZ 2.69Å; E631-R671 IonicContact OE2-NE 2.95Å; E631-R671 PolarHBondContact OE2-NE 2.8Å; E631-R671 IonicContact OE2-NH2 2.73Å; E631-R671 PolarHBondContact OE2-NH2 3.25Å; S656-R671 PolarHBondContact OG-NH1 2.95Å; Y667-R671 PolarHBondContact O-N 3.48Å; S668-R671 CarbonylContact O-C 3.56Å; S668-R671 WeakPolarHBondContact O-CB 3.29Å; S668-R671 PolarHBondContact O-N 3.36Å; S668-R671 VanDerWaalsContact O-N 3.09Å; R671-R673 PolarHBondContact O-N 3.48Å; R671-F674 WeakPolarHBondContact O-CB 3.29Å; R671-F674 PolarHBondContact O-N 3.28Å; R671-F674 VanDerWaalsContact O-N 3.1Å; R671-L675 HydrophobicContact CG-CD1 3.87Å; R671-L675 HydrophobicContact CG-CG 4.34Å; R671-L675 PolarHBondContact O-N 3.38Å
672	Q	87.1	Confident	84.2	Confident	60 Å²	60	51.4 Å²	51.4	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-55.3	-52.2	177.2	177.5	-179.1	25.6	0	0	110.4	S668 F674 L675 I676 Y682	S668-Q672 WeakPolarHBondContact O-CB 3.47Å; S668-Q672 PolarHBondContact O-N 3.38Å; Q672-F674 VanDerWaalsContact C-N 3.26Å; Q672-F674 PolarHBondContact O-N 3.12Å; Q672-L675 PolarHBondContact O-N 3.48Å; Q672-I676 HydrophobicContact CG-CD1 3.63Å; Q672-I676 HydrophobicContact CG-CG1 4.44Å; Q672-I676 WeakPolarHBondContact O-CB 3.4Å; Q672-I676 VanDerWaalsContact O-CG1 3.25Å; Q672-I676 WeakPolarHBondContact O-CG1 3.44Å; Q672-I676 PolarHBondContact O-N 3.45Å; Q672-Y682 HydrophobicContact CB-CE1 3.97Å; Q672-Y682 HydrophobicContact CG-CD1 3.8Å; Q672-Y682 HydrophobicContact CG-CE1 3.57Å; Q672-Y682 HydrophobicContact CG-CG 4.4Å
673	R	85.1	Confident	84.2	Confident	184 Å²	184	56.8 Å²	56.8	69%	0.694	26%	0.261	S	S	*	.	H	α-helix	trans	-55.9	-43	175.9	-176.4	175.2	176.2	176.3	-0.9	111.7	R669 R671 N677	R669-R673 PolarHBondContact O-N 3.29Å; R669-R673 VanDerWaalsContact O-N 3.09Å; R671-R673 PolarHBondContact O-N 3.48Å; R673-N677 WeakPolarHBondContact O-CB 3.28Å; R673-N677 PolarHBondContact O-N 3.17Å; R673-N677 PolarHBondContact O-OD1 3.03Å; R673-N677 VanDerWaalsContact O-OD1 3.07Å
674	F	81.5	Confident	84.5	Confident	16 Å²	16	56.8 Å²	56.8	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-49.5	179.1	179.5	-91.6	0	0	0	112.9	V466 R628 A632 R670 R671 Q672 I676 N677 Q678	V466-F674 HydrophobicContact CB-CE2 4.42Å; V466-F674 HydrophobicContact CG1-CE2 4.34Å; V466-F674 HydrophobicContact CG2-CE2 4.07Å; R628-F674 HydrophobicContact CB-CB 4.27Å; R628-F674 HydrophobicContact CB-CD1 4.15Å; R628-F674 HydrophobicContact CB-CD2 4.04Å; R628-F674 HydrophobicContact CB-CE2 4.48Å; R628-F674 HydrophobicContact CB-CG 3.86Å; R628-F674 HydrophobicContact CG-CB 4.1Å; R628-F674 HydrophobicContact CG-CG 4.24Å; A632-F674 HydrophobicContact CB-CE1 3.57Å; A632-F674 HydrophobicContact CB-CZ 4.15Å; R670-F674 WeakPolarHBondContact O-CB 3.34Å; R670-F674 PolarHBondContact O-N 2.97Å; R670-F674 VanDerWaalsContact O-N 3.13Å; R671-F674 WeakPolarHBondContact O-CB 3.29Å; R671-F674 PolarHBondContact O-N 3.28Å; R671-F674 VanDerWaalsContact O-N 3.1Å; Q672-F674 VanDerWaalsContact C-N 3.26Å; Q672-F674 PolarHBondContact O-N 3.12Å; F674-I676 PolarHBondContact O-N 3.21Å; F674-N677 PolarHBondContact O-N 3.27Å; F674-Q678 HydrophobicContact CD1-CG 4.41Å; F674-Q678 HydrophobicContact CE1-CG 3.87Å; F674-Q678 HydrophobicContact CE2-CG 4.46Å; F674-Q678 HydrophobicContact CZ-CG 3.93Å; F674-Q678 WeakPolarHBondContact O-CG 3.25Å; F674-Q678 PolarHBondContact O-N 3.12Å; F674-Q678 VanDerWaalsContact O-N 3.14Å
675	L	82.3	Confident	84.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-38.7	-178.2	-70.5	172.9	0	0	0	111.9	F654 R671 Q672 Q678 G679 Y680 Y682	F654-L675 HydrophobicContact CE1-CD1 4.21Å; R671-L675 HydrophobicContact CG-CD1 3.87Å; R671-L675 HydrophobicContact CG-CG 4.34Å; R671-L675 PolarHBondContact O-N 3.38Å; Q672-L675 PolarHBondContact O-N 3.48Å; L675-Q678 PolarHBondContact O-N 3.43Å; L675-G679 PolarHBondContact O-N 3.22Å; L675-Y680 HydrophobicContact CB-CD2 4.27Å; L675-Y680 HydrophobicContact CD2-CD2 3.65Å; L675-Y680 HydrophobicContact CD2-CE2 3.98Å; L675-Y680 HydrophobicContact CD2-CG 4.35Å; L675-Y680 PolarHBondContact O-N 2.93Å; L675-Y682 HydrophobicContact CB-CD2 4.32Å; L675-Y682 HydrophobicContact CD1-CD2 4.08Å; L675-Y682 HydrophobicContact CD1-CE2 3.8Å
676	I	83.7	Confident	84.9	Confident	76 Å²	76	60.1 Å²	60.1	39%	0.39	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-44.2	174.9	-67.5	170.8	0	0	0	110.6	Q672 F674 Q678 G679	Q672-I676 HydrophobicContact CG-CD1 3.63Å; Q672-I676 HydrophobicContact CG-CG1 4.44Å; Q672-I676 WeakPolarHBondContact O-CB 3.4Å; Q672-I676 VanDerWaalsContact O-CG1 3.25Å; Q672-I676 WeakPolarHBondContact O-CG1 3.44Å; Q672-I676 PolarHBondContact O-N 3.45Å; F674-I676 PolarHBondContact O-N 3.21Å; I676-Q678 PolarHBondContact O-N 2.9Å; I676-G679 WeakPolarHBondContact O-CA 3.36Å; I676-G679 PolarHBondContact O-N 3.23Å
677	N	79.5	Confident	84.9	Confident	53 Å²	53	66.3 Å²	66.3	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-32.4	177.8	-74.1	12.9	0	0	0	112.5	C98 R99 R673 F674 G679	C98-N677 WeakPolarHBondContact CA-O 3.38Å; R99-N677 PolarHBondContact N-O 3.02Å; R673-N677 WeakPolarHBondContact O-CB 3.28Å; R673-N677 PolarHBondContact O-N 3.17Å; R673-N677 PolarHBondContact O-OD1 3.03Å; R673-N677 VanDerWaalsContact O-OD1 3.07Å; F674-N677 PolarHBondContact O-N 3.27Å; N677-G679 VanDerWaalsContact C-N 3.27Å
678	Q	74.8	Confident	85	Confident	33 Å²	33	65.5 Å²	65.5	15%	0.154	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.5	174.7	-63.7	-59.3	-44.3	0	0	113.7	F674 L675 I676 Y680	F674-Q678 HydrophobicContact CD1-CG 4.41Å; F674-Q678 HydrophobicContact CE1-CG 3.87Å; F674-Q678 HydrophobicContact CE2-CG 4.46Å; F674-Q678 HydrophobicContact CZ-CG 3.93Å; F674-Q678 WeakPolarHBondContact O-CG 3.25Å; F674-Q678 PolarHBondContact O-N 3.12Å; F674-Q678 VanDerWaalsContact O-N 3.14Å; L675-Q678 PolarHBondContact O-N 3.43Å; I676-Q678 PolarHBondContact O-N 2.9Å; Q678-Y680 HydrophobicContact CB-CD2 3.92Å; Q678-Y680 HydrophobicContact CB-CE2 3.98Å
679	G	75.8	Confident	84.9	Confident	23 Å²	23	70 Å²	70	24%	0.237	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	10.1	177.8	0	0	0	0	0	115.5	L675 I676 N677	L675-G679 PolarHBondContact O-N 3.22Å; I676-G679 WeakPolarHBondContact O-CA 3.36Å; I676-G679 PolarHBondContact O-N 3.23Å; N677-G679 VanDerWaalsContact C-N 3.27Å
680	Y	79.3	Confident	84.7	Confident	24 Å²	24	63.1 Å²	63.1	9%	0.094	33%	0.326	C	S	.	.			trans	-71.3	140.6	178.6	-72.1	-78	0	0	0	112.5	W488 V500 L635 L675 Q678 Y682	W488-Y680 WeakPolarHBondContact CZ3-OH 3.34Å; V500-Y680 HydrophobicContact CB-CD1 4.35Å; V500-Y680 HydrophobicContact CB-CE1 4.39Å; L635-Y680 HydrophobicContact CD2-CE1 3.76Å; L675-Y680 HydrophobicContact CB-CD2 4.27Å; L675-Y680 HydrophobicContact CD2-CD2 3.65Å; L675-Y680 HydrophobicContact CD2-CE2 3.98Å; L675-Y680 HydrophobicContact CD2-CG 4.35Å; L675-Y680 PolarHBondContact O-N 2.93Å; Q678-Y680 HydrophobicContact CB-CD2 3.92Å; Q678-Y680 HydrophobicContact CB-CE2 3.98Å; Y680-Y682 PolarHBondContact O-N 2.89Å
681	S	83.2	Confident	84.7	Confident	51 Å²	51	59.6 Å²	59.6	36%	0.357	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	113.5	170.3	-174.2	0	0	0	0	110.3	Q501 C502	Q501-S681 PolarHBondContact NE2-OG 3.27Å; Q501-S681 VanDerWaalsContact NE2-OG 3.15Å; C502-S681 WeakPolarHBondContact CA-O 3.44Å; C502-S681 VanDerWaalsContact CB-O 3.3Å; C502-S681 WeakPolarHBondContact CB-O 3.43Å; C502-S681 PolarHBondContact N-O 3.36Å
682	Y	87.2	Confident	84.5	Confident	37 Å²	37	66.2 Å²	66.2	15%	0.145	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.1	-175.2	-159	-90.2	0	0	0	112	C502 E504 Q672 L675 Y680 V684	C502-Y682 HydrophobicContact CB-CD2 3.68Å; C502-Y682 HydrophobicContact CB-CE2 4.24Å; C502-Y682 CarbonylContact O-C 3.49Å; C502-Y682 WeakPolarHBondContact O-CA 3.44Å; E504-Y682 HydrophobicContact CB-CE1 3.93Å; E504-Y682 WeakPolarHBondContact CB-OH 3.37Å; E504-Y682 PolarHBondContact OE2-OH 3.34Å; Q672-Y682 HydrophobicContact CB-CE1 3.97Å; Q672-Y682 HydrophobicContact CG-CD1 3.8Å; Q672-Y682 HydrophobicContact CG-CE1 3.57Å; Q672-Y682 HydrophobicContact CG-CG 4.4Å; L675-Y682 HydrophobicContact CB-CD2 4.32Å; L675-Y682 HydrophobicContact CD1-CD2 4.08Å; L675-Y682 HydrophobicContact CD1-CE2 3.8Å; Y680-Y682 PolarHBondContact O-N 2.89Å; Y682-V684 HydrophobicContact CE1-CG2 4.13Å
683	K	91.7	Very high	84.3	Confident	124 Å²	124	70 Å²	70	54%	0.539	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.9	177.3	-176.1	174.8	-178.9	176.2	0	110.9	C502 A503 E504 I685	C502-K683 PolarHBondContact O-N 3.45Å; A503-K683 CarbonylContact C-O 3.57Å; A503-K683 VanDerWaalsContact CA-O 3.28Å; A503-K683 WeakPolarHBondContact CA-O 3.26Å; E504-K683 PolarHBondContact N-O 3.26Å; K683-I685 HydrophobicContact CD-CG1 4.29Å; K683-I685 HydrophobicContact CG-CG1 4.18Å
684	V	93.1	Very high	84.1	Confident	52 Å²	52	63.3 Å²	63.3	32%	0.315	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130	169.7	-177.9	0	0	0	0	109	E504 W506 Y682	E504-V684 HydrophobicContact CB-CG2 4.4Å; E504-V684 CarbonylContact O-C 3.33Å; E504-V684 WeakPolarHBondContact O-CA 3.41Å; W506-V684 HydrophobicContact CD2-CG1 3.69Å; W506-V684 VanDerWaalsContact CE2-CG1 3.45Å; W506-V684 HydrophobicContact CE3-CG1 4.19Å; W506-V684 HydrophobicContact CG-CG1 4.1Å; W506-V684 HydrophobicContact CH2-CG1 4.23Å; W506-V684 HydrophobicContact CZ2-CG1 3.74Å; W506-V684 HydrophobicContact CZ3-CG1 4.44Å; Y682-V684 HydrophobicContact CE1-CG2 4.13Å
685	I	93.8	Very high	84.2	Confident	32 Å²	32	68.5 Å²	68.5	16%	0.164	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.2	-179.3	-56.3	178.5	0	0	0	108.3	A503 E504 V505 W506 K683 K687 L688	A503-I685 HydrophobicContact CB-CD1 3.91Å; E504-I685 PolarHBondContact O-N 2.82Å; V505-I685 WeakPolarHBondContact CA-O 3.47Å; V505-I685 HydrophobicContact CG2-CB 4.47Å; W506-I685 PolarHBondContact N-O 2.93Å; K683-I685 HydrophobicContact CD-CG1 4.29Å; K683-I685 HydrophobicContact CG-CG1 4.18Å; I685-K687 WeakPolarHBondContact CG2-O 3.22Å; I685-L688 HydrophobicContact CG2-CD2 3.85Å; I685-L688 HydrophobicContact CG2-CG 4.37Å
686	T	91.3	Very high	84.4	Confident	84 Å²	84	68.8 Å²	68.8	52%	0.515	38%	0.384	S	S	.	.	S	Bend	trans	-98.7	-26.5	179.5	54.7	0	0	0	0	113.2	W506	W506-T686 HydrophobicContact CE3-CG2 3.88Å
687	K	86.9	Confident	84.4	Confident	186 Å²	186	67.3 Å²	67.3	81%	0.809	38%	0.381	S	S	*	.	S	Bend	trans	-137.5	131.3	177.2	-65.5	-174.1	179.4	-176.9	0	109.6	I685	I685-K687 WeakPolarHBondContact CG2-O 3.22Å
688	L	87.6	Confident	84.7	Confident	31 Å²	31	65.7 Å²	65.7	16%	0.162	37%	0.372	C	S	.	.			trans	-91.8	122.7	174.9	-70.8	170.3	0	0	0	109.7	V505 I538 F541 L542 I685 G690 M691	V505-L688 HydrophobicContact CG1-CD1 4.14Å; V505-L688 HydrophobicContact CG1-CG 4.32Å; I538-L688 HydrophobicContact CB-CD1 4.4Å; I538-L688 HydrophobicContact CG1-CD1 4.21Å; I538-L688 HydrophobicContact CG2-CD1 3.73Å; F541-L688 HydrophobicContact CD1-CB 4.27Å; F541-L688 HydrophobicContact CD1-CD1 3.81Å; F541-L688 HydrophobicContact CE1-CB 3.97Å; F541-L688 HydrophobicContact CE1-CD1 4.21Å; L542-L688 HydrophobicContact CD2-CD1 4.21Å; L542-L688 HydrophobicContact CD2-CD2 4.39Å; L542-L688 HydrophobicContact CG-CD1 4.33Å; I685-L688 HydrophobicContact CG2-CD2 3.85Å; I685-L688 HydrophobicContact CG2-CG 4.37Å; L688-G690 PolarHBondContact O-N 3.37Å; L688-M691 PolarHBondContact O-N 3.03Å
689	A	84.3	Confident	85.2	Confident	96 Å²	96	67.8 Å²	67.8	79%	0.793	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	130.4	176.9	0	0	0	0	0	110.4	F541	F541-A689 WeakPolarHBondContact CZ-O 3.32Å
690	G	82.1	Confident	85.9	Confident	34 Å²	34	69.6 Å²	69.6	35%	0.351	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	3.2	178.1	0	0	0	0	0	115.5	F541 L688 D692 N693	F541-G690 WeakPolarHBondContact CE2-O 3.45Å; L688-G690 PolarHBondContact O-N 3.37Å; G690-D692 VanDerWaalsContact C-N 3.28Å; G690-D692 PolarHBondContact O-N 2.87Å; G690-N693 PolarHBondContact O-N 3.21Å
691	M	83.7	Confident	86.4	Confident	44 Å²	44	74.5 Å²	74.5	22%	0.217	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-61.6	-36.3	178	-166.7	-178.6	74	0	0	112.6	I538 F541 L688 N693 E694 L696	I538-M691 HydrophobicContact CG1-SD 4.05Å; F541-M691 HydrophobicContact CD2-CB 4.35Å; F541-M691 HydrophobicContact CD2-CG 4.36Å; F541-M691 HydrophobicContact CE2-CB 4.46Å; F541-M691 HydrophobicContact CG-CG 4.44Å; L688-M691 PolarHBondContact O-N 3.03Å; M691-N693 VanDerWaalsContact C-N 3.26Å; M691-N693 PolarHBondContact O-N 3Å; M691-E694 PolarHBondContact O-N 3.48Å; M691-L696 HydrophobicContact CG-CD1 3.5Å; M691-L696 HydrophobicContact SD-CD1 4.45Å
692	D	81.2	Confident	86.8	Confident	145 Å²	145	79.3 Å²	79.3	78%	0.775	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-73.5	-17.9	-178.8	-57.4	-38.9	0	0	0	113.2	G690	G690-D692 VanDerWaalsContact C-N 3.28Å; G690-D692 PolarHBondContact O-N 2.87Å
693	N	81.8	Confident	87	Confident	141 Å²	141	81.1 Å²	81.1	75%	0.754	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-85.3	-11.4	-179.8	-63.5	-15.5	0	0	0	112.7	G690 M691	G690-N693 PolarHBondContact O-N 3.21Å; M691-N693 VanDerWaalsContact C-N 3.26Å; M691-N693 PolarHBondContact O-N 3Å
694	E	81.9	Confident	86.9	Confident	43 Å²	43	76.7 Å²	76.7	20%	0.201	42%	0.424	C	S	.	.	S	Bend	trans	-100.8	142.5	-176.2	-66.6	-62.2	154.9	0	0	112	F541 R548 M691 L696	F541-E694 HydrophobicContact CD2-CB 4.35Å; F541-E694 HydrophobicContact CD2-CG 3.89Å; F541-E694 HydrophobicContact CE2-CG 3.89Å; R548-E694 IonicContact CZ-OE1 3.1Å; R548-E694 IonicContact CZ-OE2 3.86Å; R548-E694 IonicContact NH1-OE1 2.68Å; R548-E694 PolarHBondContact NH1-OE1 2.88Å; R548-E694 IonicContact NH2-OE1 2.67Å; R548-E694 PolarHBondContact NH2-OE1 3.47Å; R548-E694 IonicContact NH2-OE2 2.79Å; R548-E694 PolarHBondContact NH2-OE2 3.4Å; M691-E694 PolarHBondContact O-N 3.48Å; E694-L696 HydrophobicContact CB-CD2 4.1Å; E694-L696 HydrophobicContact CB-CG 4.06Å; E694-L696 PolarHBondContact O-N 2.94Å; E694-L696 VanDerWaalsContact O-N 3.07Å
695	T	83.8	Confident	86.9	Confident	124 Å²	124	77.1 Å²	77.1	76%	0.761	42%	0.424	S	S	*	.			trans	-74.8	99.7	169	49.5	0	0	0	0	109.2	K544	K544-T695 PolarHBondContact NZ-O 2.91Å
696	L	85.7	Confident	86.8	Confident	11 Å²	11	78.9 Å²	78.9	6%	0.058	43%	0.434	C	S	.	.			trans	-109.4	143.9	179.6	-59.3	175.3	0	0	0	110.9	R537 E540 F541 M691 E694	R537-L696 HydrophobicContact CB-CD1 4.34Å; R537-L696 PolarHBondContact NH1-O 3.28Å; E540-L696 HydrophobicContact CB-CD2 4.2Å; E540-L696 HydrophobicContact CG-CD2 4.1Å; F541-L696 HydrophobicContact CB-CD1 4.2Å; F541-L696 HydrophobicContact CB-CD2 4.07Å; M691-L696 HydrophobicContact CG-CD1 3.5Å; M691-L696 HydrophobicContact SD-CD1 4.45Å; E694-L696 HydrophobicContact CB-CD2 4.1Å; E694-L696 HydrophobicContact CB-CG 4.06Å; E694-L696 PolarHBondContact O-N 2.94Å; E694-L696 VanDerWaalsContact O-N 3.07Å
697	S	84.6	Confident	86.8	Confident	45 Å²	45	75.8 Å²	75.8	32%	0.315	41%	0.413	S	S	.	.	S	Bend	trans	-65.1	161.8	176.3	-51.9	0	0	0	0	111.5	R537 E540 S699	R537-S697 WeakPolarHBondContact CG-O 3.37Å; R537-S697 PolarHBondContact NH1-O 3.37Å; E540-S697 PolarHBondContact OE1-OG 2.91Å; E540-S697 WeakPolarHBondContact OE2-CB 3.18Å; E540-S697 PolarHBondContact OE2-N 2.83Å; E540-S697 PolarHBondContact OE2-OG 3.48Å; E540-S697 VanDerWaalsContact OE2-OG 3.13Å; S697-S699 VanDerWaalsContact C-N 3.25Å; S697-S699 PolarHBondContact O-N 3.12Å
698	L	85.1	Confident	87	Confident	20 Å²	20	67.3 Å²	67.3	11%	0.105	38%	0.377	C	S	.	.	S	Bend	trans	59.1	34.9	179.9	-53.5	176.5	0	0	0	113.1	P533 F536 E703 Q704 F707	P533-L698 HydrophobicContact CB-CB 4.46Å; P533-L698 HydrophobicContact CB-CD1 4.11Å; F536-L698 HydrophobicContact CB-CD1 3.95Å; F536-L698 HydrophobicContact CD1-CD1 3.84Å; F536-L698 HydrophobicContact CD1-CG 4.37Å; F536-L698 HydrophobicContact CD2-CD1 4.45Å; F536-L698 HydrophobicContact CG-CD1 3.81Å; L698-E703 WeakPolarHBondContact CA-OE2 3.49Å; L698-E703 HydrophobicContact CD2-CB 3.98Å; L698-E703 PolarHBondContact N-OE2 3.44Å; L698-Q704 HydrophobicContact CB-CG 4.28Å; L698-Q704 PolarHBondContact O-NE2 3.35Å; L698-F707 HydrophobicContact CD1-CD1 4.09Å; L698-F707 HydrophobicContact CD1-CE1 4.24Å; L698-F707 HydrophobicContact CD1-CG 4.36Å; L698-F707 HydrophobicContact CD2-CB 4.12Å; L698-F707 HydrophobicContact CD2-CG 4.37Å
699	S	85.1	Confident	87.2	Confident	76 Å²	76	71.5 Å²	71.5	53%	0.531	40%	0.396	S	S	.	.			trans	-77.9	-29.8	178.6	60.1	0	0	0	0	112.2	R537 S697 E703	R537-S699 VanDerWaalsContact NH1-CB 3.34Å; S697-S699 VanDerWaalsContact C-N 3.25Å; S697-S699 PolarHBondContact O-N 3.12Å; S699-E703 PolarHBondContact N-OE2 3.31Å
700	T	90.3	Very high	87.4	Confident	62 Å²	62	71 Å²	71	38%	0.38	38%	0.377	S	S	.	.	S	Bend	trans	-92.5	145.2	-179	70	0	0	0	0	111.4	K702 E703 Q704	T700-K702 PolarHBondContact O-N 3.05Å; T700-E703 PolarHBondContact O-N 3.03Å; T700-E703 VanDerWaalsContact OG1-CG 3.24Å; T700-E703 WeakPolarHBondContact OG1-CG 3.22Å; T700-E703 PolarHBondContact OG1-N 3.05Å; T700-E703 PolarHBondContact OG1-OE1 2.89Å; T700-Q704 WeakPolarHBondContact O-CG 3.41Å; T700-Q704 PolarHBondContact O-N 3.26Å
701	K	89.5	Confident	87.8	Confident	126 Å²	126	69.8 Å²	69.8	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-32.2	176.3	-174.9	168.7	-179.7	151.9	0	112.5	E512 Q704 I705	E512-K701 WeakPolarHBondContact OE1-CE 3.31Å; E512-K701 IonicContact OE1-NZ 3.09Å; E512-K701 PolarHBondContact OE1-NZ 3.31Å; K701-Q704 PolarHBondContact O-N 3.43Å; K701-I705 HydrophobicContact CG-CD1 4Å; K701-I705 VanDerWaalsContact O-CG1 3.3Å; K701-I705 WeakPolarHBondContact O-CG1 3.44Å; K701-I705 PolarHBondContact O-N 3.21Å
702	K	92	Very high	88	Confident	152 Å²	152	70.7 Å²	70.7	66%	0.661	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-49.8	177.3	-173.6	179.8	176.6	-177.8	0	111.4	T700 Q704 I705 D706	T700-K702 PolarHBondContact O-N 3.05Å; K702-Q704 VanDerWaalsContact C-N 3.25Å; K702-Q704 PolarHBondContact O-N 2.82Å; K702-I705 PolarHBondContact O-N 3.36Å; K702-I705 VanDerWaalsContact O-N 3.13Å; K702-D706 VanDerWaalsContact O-CG 3.31Å; K702-D706 PolarHBondContact O-N 2.8Å
703	E	90.7	Very high	88.4	Confident	76 Å²	76	68.3 Å²	68.3	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-39	175.8	-75.4	161.4	-136.6	0	0	112.1	L698 S699 T700 D706 F707	L698-E703 WeakPolarHBondContact CA-OE2 3.49Å; L698-E703 HydrophobicContact CD2-CB 3.98Å; L698-E703 PolarHBondContact N-OE2 3.44Å; S699-E703 PolarHBondContact N-OE2 3.31Å; T700-E703 PolarHBondContact O-N 3.03Å; T700-E703 VanDerWaalsContact OG1-CG 3.24Å; T700-E703 WeakPolarHBondContact OG1-CG 3.22Å; T700-E703 PolarHBondContact OG1-N 3.05Å; T700-E703 PolarHBondContact OG1-OE1 2.89Å; E703-D706 PolarHBondContact O-N 3.4Å; E703-F707 VanDerWaalsContact O-CB 3.25Å; E703-F707 WeakPolarHBondContact O-CB 3.26Å; E703-F707 PolarHBondContact O-N 3.31Å
704	Q	91.5	Very high	88.6	Confident	30 Å²	30	62 Å²	62	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-37.7	177.4	-65.4	-180	5.1	0	0	112.6	P533 L698 T700 K701 K702 L708	P533-Q704 HydrophobicContact CB-CG 3.88Å; P533-Q704 HydrophobicContact CG-CB 4.26Å; P533-Q704 HydrophobicContact CG-CG 4.12Å; L698-Q704 HydrophobicContact CB-CG 4.28Å; L698-Q704 PolarHBondContact O-NE2 3.35Å; T700-Q704 WeakPolarHBondContact O-CG 3.41Å; T700-Q704 PolarHBondContact O-N 3.26Å; K701-Q704 PolarHBondContact O-N 3.43Å; K702-Q704 VanDerWaalsContact C-N 3.25Å; K702-Q704 PolarHBondContact O-N 2.82Å; Q704-L708 WeakPolarHBondContact O-CB 3.46Å; Q704-L708 PolarHBondContact O-N 2.88Å
705	I	91.6	Very high	88.7	Confident	62 Å²	62	62.7 Å²	62.7	32%	0.318	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-43.1	175.6	-68.4	165.9	0	0	0	110.5	K701 K702 F707 L708 Q709	K701-I705 HydrophobicContact CG-CD1 4Å; K701-I705 VanDerWaalsContact O-CG1 3.3Å; K701-I705 WeakPolarHBondContact O-CG1 3.44Å; K701-I705 PolarHBondContact O-N 3.21Å; K702-I705 PolarHBondContact O-N 3.36Å; K702-I705 VanDerWaalsContact O-N 3.13Å; I705-F707 VanDerWaalsContact C-N 3.29Å; I705-F707 PolarHBondContact O-N 3.28Å; I705-L708 WeakPolarHBondContact O-CB 3.49Å; I705-L708 PolarHBondContact O-N 3.02Å; I705-Q709 WeakPolarHBondContact O-CG 3.26Å; I705-Q709 PolarHBondContact O-N 3.13Å
706	D	92	Very high	88.5	Confident	68 Å²	68	60.5 Å²	60.5	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177	-65.9	-16.7	0	0	0	110.5	K702 E703 Q709 Q710	K702-D706 VanDerWaalsContact O-CG 3.31Å; K702-D706 PolarHBondContact O-N 2.8Å; E703-D706 PolarHBondContact O-N 3.4Å; D706-Q709 PolarHBondContact O-N 3.2Å; D706-Q710 WeakPolarHBondContact O-CG 3.5Å; D706-Q710 PolarHBondContact O-N 3.38Å; D706-Q710 VanDerWaalsContact O-N 3.13Å
707	F	91.2	Very high	88.2	Confident	19 Å²	19	63.2 Å²	63.2	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-42.5	173.6	-173.3	-119.3	0	0	0	111.9	F513 M531 P533 L698 E703 I705 Q709 Q710 V711	F513-F707 HydrophobicContact CE2-CD1 4.44Å; F513-F707 AromaticContact CZ-CD1 3.74Å; F513-F707 HydrophobicContact CZ-CD1 3.74Å; F513-F707 HydrophobicContact CZ-CE1 4.26Å; M531-F707 HydrophobicContact CB-CE1 4.23Å; M531-F707 HydrophobicContact CB-CZ 4.4Å; M531-F707 HydrophobicContact CE-CE1 4.14Å; M531-F707 HydrophobicContact CE-CE2 3.56Å; M531-F707 HydrophobicContact CE-CZ 3.22Å; M531-F707 VanDerWaalsContact O-CE1 3.25Å; M531-F707 WeakPolarHBondContact O-CE1 3.48Å; M531-F707 HydrophobicContact SD-CZ 4.14Å; P533-F707 HydrophobicContact CG-CD1 4.28Å; L698-F707 HydrophobicContact CD1-CD1 4.09Å; L698-F707 HydrophobicContact CD1-CE1 4.24Å; L698-F707 HydrophobicContact CD1-CG 4.36Å; L698-F707 HydrophobicContact CD2-CB 4.12Å; L698-F707 HydrophobicContact CD2-CG 4.37Å; E703-F707 VanDerWaalsContact O-CB 3.25Å; E703-F707 WeakPolarHBondContact O-CB 3.26Å; E703-F707 PolarHBondContact O-N 3.31Å; I705-F707 VanDerWaalsContact C-N 3.29Å; I705-F707 PolarHBondContact O-N 3.28Å; F707-Q709 VanDerWaalsContact C-N 3.35Å; F707-Q709 PolarHBondContact O-N 2.94Å; F707-Q710 WeakPolarHBondContact O-CB 3.38Å; F707-Q710 PolarHBondContact O-N 3.03Å; F707-V711 WeakPolarHBondContact O-CG2 3.44Å; F707-V711 PolarHBondContact O-N 3.31Å
708	L	91.4	Very high	87.9	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-43.2	174.5	180	59.2	0	0	0	111.9	E512 F513 Y516 L528 Q704 I705 Q710 V711 L712	E512-L708 HydrophobicContact CB-CD2 3.77Å; F513-L708 HydrophobicContact CD1-CD1 3.88Å; F513-L708 HydrophobicContact CD2-CB 4.29Å; F513-L708 HydrophobicContact CD2-CD1 3.92Å; F513-L708 HydrophobicContact CD2-CD2 4.39Å; F513-L708 HydrophobicContact CD2-CG 4.43Å; F513-L708 HydrophobicContact CE1-CD1 3.75Å; F513-L708 HydrophobicContact CE2-CB 3.58Å; F513-L708 HydrophobicContact CE2-CD1 3.83Å; F513-L708 HydrophobicContact CE2-CD2 4.46Å; F513-L708 HydrophobicContact CE2-CG 4.15Å; F513-L708 HydrophobicContact CG-CD1 3.96Å; F513-L708 HydrophobicContact CZ-CB 3.76Å; F513-L708 HydrophobicContact CZ-CD1 3.74Å; F513-L708 HydrophobicContact CZ-CG 4.33Å; Y516-L708 HydrophobicContact CD2-CD1 4.19Å; Y516-L708 HydrophobicContact CD2-CD2 3.84Å; Y516-L708 HydrophobicContact CD2-CG 4.4Å; Y516-L708 HydrophobicContact CE2-CD2 3.8Å; Y516-L708 HydrophobicContact CE2-CG 4.49Å; L528-L708 HydrophobicContact CD2-CD1 4.15Å; Q704-L708 WeakPolarHBondContact O-CB 3.46Å; Q704-L708 PolarHBondContact O-N 2.88Å; I705-L708 WeakPolarHBondContact O-CB 3.49Å; I705-L708 PolarHBondContact O-N 3.02Å; L708-Q710 VanDerWaalsContact C-N 3.3Å; L708-Q710 PolarHBondContact O-N 3.37Å; L708-V711 PolarHBondContact O-N 3.42Å; L708-V711 VanDerWaalsContact O-N 3.08Å; L708-L712 HydrophobicContact CD1-CD1 4.21Å; L708-L712 HydrophobicContact CD1-CG 4.12Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 HydrophobicContact CG-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 2.98Å; L708-L712 PolarHBondContact O-N 3.31Å
709	Q	91.2	Very high	87.5	Confident	119 Å²	119	63.2 Å²	63.2	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-61	-39.3	176.9	-72	178.7	1.8	0	0	112	I705 D706 F707 V711 L712 S713	I705-Q709 WeakPolarHBondContact O-CG 3.26Å; I705-Q709 PolarHBondContact O-N 3.13Å; D706-Q709 PolarHBondContact O-N 3.2Å; F707-Q709 VanDerWaalsContact C-N 3.35Å; F707-Q709 PolarHBondContact O-N 2.94Å; Q709-V711 VanDerWaalsContact C-N 3.31Å; Q709-V711 PolarHBondContact O-N 2.86Å; Q709-L712 PolarHBondContact O-N 2.86Å; Q709-S713 PolarHBondContact O-N 3.42Å; Q709-S713 PolarHBondContact O-OG 3Å
710	Q	89.8	Confident	87	Confident	86 Å²	86	65.8 Å²	65.8	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-32.5	173.6	-67.2	179.2	34.1	0	0	113.2	Y561 D706 F707 L708 S713	Y561-Q710 PolarHBondContact OH-O 3.24Å; D706-Q710 WeakPolarHBondContact O-CG 3.5Å; D706-Q710 PolarHBondContact O-N 3.38Å; D706-Q710 VanDerWaalsContact O-N 3.13Å; F707-Q710 WeakPolarHBondContact O-CB 3.38Å; F707-Q710 PolarHBondContact O-N 3.03Å; L708-Q710 VanDerWaalsContact C-N 3.3Å; L708-Q710 PolarHBondContact O-N 3.37Å; Q710-S713 PolarHBondContact O-OG 3.08Å; Q710-S713 VanDerWaalsContact O-OG 3.07Å
711	V	89.6	Confident	85.9	Confident	7 Å²	7	66 Å²	66	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-75.2	-38.1	176.4	176	0	0	0	0	110.6	F513 L527 L528 M531 F707 L708 Q709 S713 A714	F513-V711 HydrophobicContact CE1-CG2 4.37Å; L527-V711 HydrophobicContact CD2-CG1 4.23Å; L527-V711 HydrophobicContact CG-CG1 4.18Å; L528-V711 HydrophobicContact CD2-CG1 3.9Å; M531-V711 HydrophobicContact CB-CG1 4.25Å; M531-V711 HydrophobicContact CB-CG2 3.72Å; M531-V711 HydrophobicContact CE-CG2 3.79Å; M531-V711 HydrophobicContact CG-CG1 4.4Å; M531-V711 HydrophobicContact CG-CG2 3.96Å; F707-V711 WeakPolarHBondContact O-CG2 3.44Å; F707-V711 PolarHBondContact O-N 3.31Å; L708-V711 PolarHBondContact O-N 3.42Å; L708-V711 VanDerWaalsContact O-N 3.08Å; Q709-V711 VanDerWaalsContact C-N 3.31Å; Q709-V711 PolarHBondContact O-N 2.86Å; V711-S713 VanDerWaalsContact C-N 3.32Å; V711-S713 PolarHBondContact O-N 2.89Å; V711-A714 VanDerWaalsContact O-CB 3.27Å; V711-A714 WeakPolarHBondContact O-CB 3.45Å; V711-A714 PolarHBondContact O-N 3.37Å
712	L	88.8	Confident	84.8	Confident	63 Å²	63	61.3 Å²	61.3	33%	0.33	33%	0.326	S	S	.	.	H	α-helix	trans	-70.7	-26.8	177.8	-68.8	174.6	0	0	0	113	Y516 L708 Q709 A714	Y516-L712 HydrophobicContact CD1-CD1 4.3Å; Y516-L712 HydrophobicContact CD1-CD2 4.03Å; Y516-L712 HydrophobicContact CD2-CD1 4.24Å; Y516-L712 HydrophobicContact CE1-CD1 4Å; Y516-L712 HydrophobicContact CE1-CD2 4.45Å; Y516-L712 HydrophobicContact CE2-CD1 3.96Å; Y516-L712 HydrophobicContact CG-CD1 4.41Å; Y516-L712 HydrophobicContact CG-CD2 4.14Å; L708-L712 HydrophobicContact CD1-CD1 4.21Å; L708-L712 HydrophobicContact CD1-CG 4.12Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 HydrophobicContact CG-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 2.98Å; L708-L712 PolarHBondContact O-N 3.31Å; Q709-L712 PolarHBondContact O-N 2.86Å; L712-A714 VanDerWaalsContact C-N 3.31Å
713	S	89.6	Confident	83.3	Confident	96 Å²	96	60.5 Å²	60.5	67%	0.671	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.2	174.2	66.5	0	0	0	0	113.9	Q709 Q710 V711	Q709-S713 PolarHBondContact O-N 3.42Å; Q709-S713 PolarHBondContact O-OG 3Å; Q710-S713 PolarHBondContact O-OG 3.08Å; Q710-S713 VanDerWaalsContact O-OG 3.07Å; V711-S713 VanDerWaalsContact C-N 3.32Å; V711-S713 PolarHBondContact O-N 2.89Å
714	A	86	Confident	81.4	Confident	9 Å²	9	59.8 Å²	59.8	7%	0.074	33%	0.329	C	S	.	.	S	Bend	trans	-64.9	146.5	176.4	0	0	0	0	0	111	L527 Y561 V711 L712 D718	L527-A714 HydrophobicContact CD2-CB 4.15Å; Y561-A714 HydrophobicContact CE1-CB 4.12Å; Y561-A714 HydrophobicContact CE2-CB 4.33Å; V711-A714 VanDerWaalsContact O-CB 3.27Å; V711-A714 WeakPolarHBondContact O-CB 3.45Å; V711-A714 PolarHBondContact O-N 3.37Å; L712-A714 VanDerWaalsContact C-N 3.31Å; A714-D718 HydrophobicContact CB-CB 4.11Å
715	S	83.3	Confident	78.7	Confident	57 Å²	57	67 Å²	67	40%	0.399	36%	0.355	S	S	.	.			trans	-75.2	162.3	177.8	70.7	0	0	0	0	110.9	A717 D718	S715-A717 PolarHBondContact O-N 2.94Å; S715-D718 WeakPolarHBondContact CB-OD2 3.33Å; S715-D718 PolarHBondContact N-OD2 3.24Å; S715-D718 WeakPolarHBondContact O-CB 3.5Å; S715-D718 PolarHBondContact O-N 2.82Å; S715-D718 VanDerWaalsContact O-N 3.1Å; S715-D718 VanDerWaalsContact OG-CG 3.26Å; S715-D718 PolarHBondContact OG-N 3.19Å; S715-D718 PolarHBondContact OG-OD2 3.15Å
716	D	79.5	Confident	75.9	Confident	78 Å²	78	70 Å²	70	42%	0.417	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-63.8	-27.2	174.5	-70.7	-14	0	0	0	111.7	R524 D718 A719 E720	R524-D716 IonicContact CZ-OD1 2.71Å; R524-D716 VanDerWaalsContact CZ-OD1 3.23Å; R524-D716 IonicContact NE-OD1 3.17Å; R524-D716 PolarHBondContact NE-OD1 3.43Å; R524-D716 IonicContact NH2-OD1 3.29Å; R524-D716 PolarHBondContact NH2-OD1 3.39Å; D716-D718 VanDerWaalsContact C-N 3.3Å; D716-D718 PolarHBondContact O-N 2.76Å; D716-A719 WeakPolarHBondContact O-CB 3.5Å; D716-A719 PolarHBondContact O-N 3.23Å; D716-A719 VanDerWaalsContact O-N 3.12Å; D716-E720 PolarHBondContact O-N 3.35Å
717	A	78.4	Confident	73.1	Confident	67 Å²	67	72.1 Å²	72.1	55%	0.554	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.2	-30.4	173.9	0	0	0	0	0	112.7	S715 A719 E720	S715-A717 PolarHBondContact O-N 2.94Å; A717-A719 PolarHBondContact O-N 3.37Å; A717-E720 PolarHBondContact O-N 2.9Å
718	D	80.3	Confident	70.3	Confident	57 Å²	57	75.9 Å²	75.9	31%	0.305	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-72.1	-19.9	174.6	-61.8	-55.1	0	0	0	112.1	N559 Y561 A714 S715 D716	N559-D718 PolarHBondContact ND2-O 3.14Å; N559-D718 PolarHBondContact OD1-O 3.18Å; Y561-D718 HydrophobicContact CD2-CB 3.87Å; Y561-D718 HydrophobicContact CG-CB 3.87Å; A714-D718 HydrophobicContact CB-CB 4.11Å; S715-D718 WeakPolarHBondContact CB-OD2 3.33Å; S715-D718 PolarHBondContact N-OD2 3.24Å; S715-D718 WeakPolarHBondContact O-CB 3.5Å; S715-D718 PolarHBondContact O-N 2.82Å; S715-D718 VanDerWaalsContact O-N 3.1Å; S715-D718 VanDerWaalsContact OG-CG 3.26Å; S715-D718 PolarHBondContact OG-N 3.19Å; S715-D718 PolarHBondContact OG-OD2 3.15Å; D716-D718 VanDerWaalsContact C-N 3.3Å; D716-D718 PolarHBondContact O-N 2.76Å
719	A	74.8	Confident	67.3	Low	9 Å²	9	80.1 Å²	80.1	7%	0.074	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-86.1	-14	175.3	0	0	0	0	0	112.9	L527 D716 A717	L527-A719 HydrophobicContact CB-CB 4.01Å; L527-A719 HydrophobicContact CD2-CB 4.04Å; D716-A719 WeakPolarHBondContact O-CB 3.5Å; D716-A719 PolarHBondContact O-N 3.23Å; D716-A719 VanDerWaalsContact O-N 3.12Å; A717-A719 PolarHBondContact O-N 3.37Å
720	E	75.1	Confident	64.3	Low	130 Å²	130	80.4 Å²	80.4	61%	0.607	44%	0.44	S	S	*	.	S	Bend	trans	-74.7	158.6	176.4	-69.5	-179.5	175.5	0	0	111.5	D716 A717	D716-E720 PolarHBondContact O-N 3.35Å; A717-E720 PolarHBondContact O-N 2.9Å
721	E	68.4	Low	61.3	Low	65 Å²	65	83.6 Å²	83.6	30%	0.304	46%	0.459	S	S	.	.			trans	-76.3	160.2	174	-59.5	-158.3	152.2	0	0	111.4	K604 H624 D723	K604-E721 IonicContact NZ-OE2 3.77Å; K604-E721 PolarHBondContact NZ-OE2 3.46Å; H624-E721 WeakPolarHBondContact CB-OE1 3.33Å; H624-E721 IonicContact CD2-OE1 3.81Å; H624-E721 PolarHBondContact CD2-OE1 2.88Å; H624-E721 IonicContact CG-OE1 2.88Å; H624-E721 IonicContact NE2-OE1 3.98Å; E721-D723 PolarHBondContact O-N 3.03Å
722	E	66.1	Low	58.3	Low	29 Å²	29	95 Å²	95	14%	0.136	50%	0.501	C	S	.	.			trans	-66.9	100.5	159.8	-162.3	171.9	-156.2	0	0	109.4	V560 G577 S603 K604 V724	V560-E722 HydrophobicContact CG2-CB 3.82Å; V560-E722 HydrophobicContact CG2-CG 4.09Å; G577-E722 WeakPolarHBondContact CA-OE1 3.3Å; G577-E722 PolarHBondContact N-OE1 3.3Å; S603-E722 WeakPolarHBondContact CB-OE2 3.31Å; S603-E722 PolarHBondContact OG-OE2 3.23Å; K604-E722 WeakPolarHBondContact CD-O 3.24Å; E722-V724 PolarHBondContact O-N 2.89Å
723	D	59.9	Low	55.4	Low	135 Å²	135	96.4 Å²	96.4	72%	0.722	52%	0.517	S	S	*	.			trans	-67.7	101	157	-86.1	-18.6	0	0	0	107	E721 R725	E721-D723 PolarHBondContact O-N 3.03Å; D723-R725 PolarHBondContact O-N 3.48Å
724	V	50.6	Low	52.4	Low	61 Å²	61	101.2 Å²	101.2	37%	0.37	53%	0.531	S	S	.	.			trans	-63.4	94.2	166.4	-177.8	0	0	0	0	106.1	K604 T608 E722 D726	K604-V724 HydrophobicContact CB-CG2 4.34Å; K604-V724 HydrophobicContact CD-CG2 4.41Å; K604-V724 HydrophobicContact CG-CG2 4.23Å; T608-V724 HydrophobicContact CG2-CG1 3.85Å; T608-V724 HydrophobicContact CG2-CG2 4.32Å; E722-V724 PolarHBondContact O-N 2.89Å; V724-D726 PolarHBondContact O-N 3.45Å
725	R	35.2	Very low	49.9	Very low	180 Å²	180	105.8 Å²	105.8	68%	0.679	56%	0.563	S	S	*	*			trans	-60.9	107.7	169.4	-69.7	-179.2	179.8	175.2	2	106.4	D723 D727	D723-R725 PolarHBondContact O-N 3.48Å; R725-D727 PolarHBondContact O-N 2.75Å
726	D	33.9	Very low	47.5	Very low	126 Å²	126	108.1 Å²	108.1	67%	0.674	58%	0.579	S	S	*	*			trans	-52.7	131.3	156.6	-88.7	-26.2	0	0	0	106.5	V724 S728	V724-D726 PolarHBondContact O-N 3.45Å; D726-S728 PolarHBondContact O-N 3.34Å; D726-S728 PolarHBondContact O-OG 2.6Å
727	D	32.7	Very low	45.3	Very low	113 Å²	113	113.4 Å²	113.4	60%	0.604	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	11.6	179.9	-82.1	-36.4	0	0	0	115.4	R383 R725	R383-D727 PolarHBondContact NH1-O 3.48Å; R383-D727 VanDerWaalsContact NH1-O 3.08Å; R725-D727 PolarHBondContact O-N 2.75Å
728	S	31.7	Very low	43.1	Very low	97 Å²	97	115.8 Å²	115.8	68%	0.678	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-11.4	174.4	64.5	0	0	0	0	115	D726	D726-S728 PolarHBondContact O-N 3.34Å; D726-S728 PolarHBondContact O-OG 2.6Å
729	T	29.4	Very low	40.8	Very low	99 Å²	99	116.6 Å²	116.6	61%	0.607	64%	0.641	S	S	*	*	S	Bend	trans	-116.5	0.8	-171.5	-15.5	0	0	0	0	116.5	N731	T729-N731 PolarHBondContact O-N 3.08Å
730	E	26.4	Very low	38.8	Very low	125 Å²	125	120.4 Å²	120.4	58%	0.584	67%	0.672	S	S	*	*			trans	-96.4	86.9	176.2	-66	-159.9	161.4	0	0	111.9
731	N	27.1	Very low	36.7	Very low	152 Å²	152	122.1 Å²	122.1	81%	0.813	68%	0.68	S	S	*	*			trans	170.7	57.6	148.2	-94.1	-18.2	0	0	0	110.7	T729	T729-N731 PolarHBondContact O-N 3.08Å
732	R	26.8	Very low	34.7	Very low	246 Å²	246	126 Å²	126	93%	0.928	70%	0.702	S	S	*	*			trans	-95.8	95.7	161	-80.7	-170.5	174.3	-178.5	1.1	109.6
733	S	28	Very low	33.1	Very low	94 Å²	94	131.7 Å²	131.7	66%	0.657	74%	0.739	S	S	*	*			trans	-43.4	136.5	166	172.9	0	0	0	0	113.1	S735	S733-S735 VanDerWaalsContact C-N 3.32Å; S733-S735 PolarHBondContact O-N 2.99Å
734	M	27.9	Very low	31.6	Very low	197 Å²	197	129.6 Å²	129.6	97%	0.97	74%	0.74	S	S	*	*	S	Bend	trans	-63.1	65.3	179	-74.3	-171.7	-78.9	0	0	114.7
735	S	31.8	Very low	30.5	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	76%	0.764	S	S	*	*			trans	-140.7	6.8	-179.9	53.5	0	0	0	0	118.2	S733	S733-S735 VanDerWaalsContact C-N 3.32Å; S733-S735 PolarHBondContact O-N 2.99Å
736	S	34.2	Very low	30.3	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	77%	0.77	S	S	*	*			trans	-124.5	11	-174.9	62.1	0	0	0	0	117.9	S738	S736-S738 PolarHBondContact O-N 3.07Å
737	L	32.7	Very low	29.8	Very low	188 Å²	188	137 Å²	137	98%	0.984	78%	0.775	S	S	*	*			trans	-91.4	76.8	174.7	-84.6	143.9	0	0	0	111.6
738	S	31.9	Very low	29.7	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	78%	0.784	S	S	*	*			trans	-120.5	106.5	157.7	66.1	0	0	0	0	107.7	S736	S736-S738 PolarHBondContact O-N 3.07Å
739	G	31.8	Very low	29.5	Very low	74 Å²	74	139.5 Å²	139.5	76%	0.763	79%	0.789	S	S	*	*			trans	157.6	75.2	-178.1	0	0	0	0	0	115.1
740	A	34.1	Very low	29.4	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	80%	0.804	S	S	*	*			trans	70.8	112.4	138.4	0	0	0	0	0	120.7
741	H	30.4	Very low	29.5	Very low	167 Å²	167	141.4 Å²	141.4	77%	0.773	81%	0.809	S	S	*	*			trans	89	100.3	142.8	-64.7	-59.1	0	0	0	121.3
742	N	27.2	Very low	29.7	Very low	146 Å²	146	139 Å²	139	78%	0.781	81%	0.805	S	S	*	*			trans	53.5	100.7	131.4	-63.7	-8.1	0	0	0	118.1
743	V	30.6	Very low	29.7	Very low	149 Å²	149	137.9 Å²	137.9	90%	0.903	81%	0.806	S	S	*	*				-162.7	143.8	124.2	156.8	0	0	0	0	107.4
744	A	29.9	Very low	29.8	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	81%	0.812	S	S	*	*			trans	-54.9	132.1	-157.7	0	0	0	0	0	117.9
745	Y	26.9	Very low	30	Very low	219 Å²	219	134.8 Å²	134.8	86%	0.859	81%	0.805	S	S	*	*			trans	-84.5	125.6	157.9	-98.8	-98.4	0	0	0	109.3
746	V	30.5	Very low	30.3	Very low	133 Å²	133	138.8 Å²	138.8	81%	0.806	81%	0.808	S	S	*	*			trans	-109.6	109.8	158.4	177.3	0	0	0	0	107.2
747	H	24.4	Very low	30.5	Very low	169 Å²	169	142.9 Å²	142.9	78%	0.782	82%	0.816	S	S	*	*			trans	-67.1	130.3	165.6	-102.6	-88.5	0	0	0	109.1
748	A	29.5	Very low	30.9	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	81%	0.808	S	S	*	*			trans	-128.2	125.1	156.1	0	0	0	0	0	108.2
749	E	28.9	Very low	31.6	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	78%	0.777	S	S	*	*			trans	-65.2	145.6	-166.5	-68.7	158.8	150.8	0	0	114.2	T751	E749-T751 PolarHBondContact O-N 2.77Å; E749-T751 VanDerWaalsContact O-N 3.08Å; E749-T751 PolarHBondContact O-OG1 3.27Å
750	T	25.6	Very low	32.2	Very low	149 Å²	149	142 Å²	142	91%	0.914	77%	0.774	S	S	*	*			trans	-50.3	104.7	162.9	10.7	0	0	0	0	111.3
751	T	30.1	Very low	32.8	Very low	115 Å²	115	141.3 Å²	141.3	71%	0.706	76%	0.757	S	S	*	*			trans	-145.4	122.3	165.5	-12	0	0	0	0	112	E749	E749-T751 PolarHBondContact O-N 2.77Å; E749-T751 VanDerWaalsContact O-N 3.08Å; E749-T751 PolarHBondContact O-OG1 3.27Å
752	S	29.5	Very low	33.8	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	74%	0.739	S	S	*	*			trans	56.7	104.1	152.9	57.2	0	0	0	0	120.2	A754	S752-A754 PolarHBondContact O-N 3.27Å
753	K	27.2	Very low	34.6	Very low	222 Å²	222	139.7 Å²	139.7	97%	0.965	74%	0.741	S	S	*	*			trans	21.6	83.8	134.4	-69.4	176.7	176	173.7	0	115.7
754	A	30.7	Very low	35.2	Very low	94 Å²	94	143 Å²	143	78%	0.777	74%	0.738	S	S	*	*			trans	-103.2	125	159.8	0	0	0	0	0	109.1	S752 K756	S752-A754 PolarHBondContact O-N 3.27Å; A754-K756 PolarHBondContact O-N 3.05Å
755	T	32.3	Very low	35.9	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	74%	0.735	S	S	*	*			trans	-46.2	118.5	178.2	40.4	0	0	0	0	112.2	E757	T755-E757 PolarHBondContact O-N 3.46Å
756	K	38.3	Very low	36.2	Very low	188 Å²	188	147 Å²	147	82%	0.817	74%	0.736	S	S	*	*			trans	-50.6	114.3	165.2	-76.5	-176	174.5	-173.3	0	108.2	A754 R758	A754-K756 PolarHBondContact O-N 3.05Å; K756-R758 VanDerWaalsContact C-N 3.31Å; K756-R758 PolarHBondContact O-N 2.79Å
757	E	38.6	Very low	36.4	Very low	193 Å²	193	154 Å²	154	90%	0.902	76%	0.756	S	S	*	*			trans	-59.1	93.9	174.1	-70.1	-173.9	157.7	0	0	108.9	T755	T755-E757 PolarHBondContact O-N 3.46Å
758	R	39.8	Very low	37	Very low	215 Å²	215	153.3 Å²	153.3	81%	0.811	76%	0.755	S	S	*	*			trans	-91.4	137.9	171.7	-76.2	-178.8	168.5	179.5	-2.7	108.5	K756	K756-R758 VanDerWaalsContact C-N 3.31Å; K756-R758 PolarHBondContact O-N 2.79Å
759	H	48.1	Very low	37.4	Very low	40 Å²	40	156.3 Å²	156.3	19%	0.185	75%	0.753	C	S	.	*			trans	-52.9	132.5	-179.2	-171.2	-70.7	0	0	0	112.1	L761 F762	H759-L761 VanDerWaalsContact C-N 3.25Å; H759-L761 VanDerWaalsContact CE1-CD1 3.44Å; H759-L761 WeakPolarHBondContact CE1-CD1 3.45Å; H759-L761 WeakPolarHBondContact ND1-CB 3.4Å; H759-L761 PolarHBondContact ND1-N 3.24Å; H759-L761 VanDerWaalsContact ND1-N 3.18Å; H759-L761 PolarHBondContact O-N 2.67Å; H759-L761 VanDerWaalsContact O-N 3.14Å; H759-F762 HydrophobicContact CB-CD2 3.84Å; H759-F762 HydrophobicContact CB-CE2 3.98Å; H759-F762 PolarHBondContact O-N 2.68Å
760	P	43.3	Very low	37.8	Very low	105 Å²	105	155.7 Å²	155.7	68%	0.682	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-58.9	-29	-173.4	-8.2	7.5	0	0	0	114.8	F762 K763	P760-F762 VanDerWaalsContact C-N 3.26Å; P760-F762 PolarHBondContact O-N 3.27Å; P760-K763 PolarHBondContact O-N 3.26Å
761	L	46.3	Very low	38.5	Very low	74 Å²	74	156.1 Å²	156.1	39%	0.387	74%	0.742	S	S	.	*	G	3₁₀ helix	trans	-63.3	-22.5	178.7	-76.1	169.4	0	0	0	114.7	H759 K763 R764 F765	H759-L761 VanDerWaalsContact C-N 3.25Å; H759-L761 VanDerWaalsContact CE1-CD1 3.44Å; H759-L761 WeakPolarHBondContact CE1-CD1 3.45Å; H759-L761 WeakPolarHBondContact ND1-CB 3.4Å; H759-L761 PolarHBondContact ND1-N 3.24Å; H759-L761 VanDerWaalsContact ND1-N 3.18Å; H759-L761 PolarHBondContact O-N 2.67Å; H759-L761 VanDerWaalsContact O-N 3.14Å; L761-K763 PolarHBondContact O-N 3.29Å; L761-R764 PolarHBondContact O-N 3.3Å; L761-F765 WeakPolarHBondContact O-CD2 3.33Å
762	F	51.9	Low	39.1	Very low	90 Å²	90	158.6 Å²	158.6	40%	0.395	74%	0.744	S	S	.	*	G	3₁₀ helix	trans	-77.7	-4.9	178.8	-67.3	-72.6	0	0	0	114.2	H759 P760	H759-F762 HydrophobicContact CB-CD2 3.84Å; H759-F762 HydrophobicContact CB-CE2 3.98Å; H759-F762 PolarHBondContact O-N 2.68Å; P760-F762 VanDerWaalsContact C-N 3.26Å; P760-F762 PolarHBondContact O-N 3.27Å
763	K	44.2	Very low	39.7	Very low	190 Å²	190	162.4 Å²	162.4	83%	0.826	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-84.4	-17.4	169.8	-77.2	-176.4	177.2	177.4	0	113.5	P760 L761	P760-K763 PolarHBondContact O-N 3.26Å; L761-K763 PolarHBondContact O-N 3.29Å
764	R	42.3	Very low	40.6	Very low	218 Å²	218	158.1 Å²	158.1	82%	0.823	73%	0.73	S	S	*	*	S	Bend	trans	-94	-7	-174.4	-91.1	-176.6	167.7	177.4	-3.6	115.6	L761	L761-R764 PolarHBondContact O-N 3.3Å
765	F	45	Very low	41.4	Very low	160 Å²	160	163.1 Å²	163.1	70%	0.702	73%	0.727	S	S	*	*	S	Bend	trans	-111.6	24.7	-177.9	-68	-76.5	0	0	0	114.3	L761	L761-F765 WeakPolarHBondContact O-CD2 3.33Å
766	R	34.2	Very low	42.1	Very low	233 Å²	233	165.7 Å²	165.7	88%	0.879	72%	0.72	S	S	*	*			trans	-113.2	75.6	169.2	-83.8	-174.5	168.5	-173.8	-4.6	109.9
767	K	33.4	Very low	42.4	Very low	282 Å²	282	163.6 Å²	163.6	100%	1.226	71%	0.711	S	S	*	*			trans	-157.3	0	150.9	-103.4	-173.5	-176.9	-175	0	108.4

Retrieved 767 of 767 residues in 1007.2 ms (Link to these results)

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