A0A077Z7H5_TRITR Loading...

isocitrate dehydrogenase (NAD(+))

AlphaFold DB , UniProt , Accession A0A077Z7H5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29	Very low	24	Very low	247 Å²	247	147 Å²	147	100%	1.217	85%	0.845	S	S	*	*				0	101.8	0	-59.5	169.7	-161.3	0	0	106.6
2	A	25.3	Very low	24.4	Very low	101 Å²	101	147.8 Å²	147.8	84%	0.835	84%	0.842	S	S	*	*			trans	-164.5	163.2	-173.8	0	0	0	0	0	110.8
3	A	24.9	Very low	24.4	Very low	103 Å²	103	151.2 Å²	151.2	85%	0.851	84%	0.842	S	S	*	*			trans	61.3	96.8	166.3	0	0	0	0	0	118.2
4	S	27.3	Very low	24.3	Very low	103 Å²	103	145.9 Å²	145.9	72%	0.72	84%	0.838	S	S	*	*			trans	-125.6	93	152.5	45.9	0	0	0	0	110.1
5	K	22.6	Very low	24.6	Very low	208 Å²	208	145.1 Å²	145.1	90%	0.904	83%	0.829	S	S	*	*			trans	-80	113.3	163.5	-74.7	-177	175.6	-177.1	0	107.8
6	H	24.9	Very low	24.8	Very low	165 Å²	165	152.1 Å²	152.1	76%	0.764	84%	0.838	S	S	*	*			trans	-124.7	113	176.3	-80.3	-1.9	0	0	0	111.7
7	F	20.9	Very low	25	Very low	216 Å²	216	153.5 Å²	153.5	95%	0.947	84%	0.837	S	S	*	*			trans	-84.9	123.1	165.1	-141.7	-95.6	0	0	0	106.6
8	V	22.7	Very low	25.2	Very low	128 Å²	128	147.5 Å²	147.5	78%	0.776	81%	0.807	S	S	*	*			trans	-126.1	119	176.7	-178.7	0	0	0	0	109.3
9	C	22	Very low	25.4	Very low	105 Å²	105	153.2 Å²	153.2	71%	0.709	82%	0.816	S	S	*	*			trans	-103	134.3	171.4	172.7	0	0	0	0	108.5
10	T	21.9	Very low	25.6	Very low	127 Å²	127	150.8 Å²	150.8	78%	0.779	81%	0.812	S	S	*	*				169	124	125.3	45.2	0	0	0	0	112.1
11	S	22.3	Very low	25.8	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	79%	0.794	S	S	*	*				-170	166.7	127.2	44.6	0	0	0	0	109.8
12	I	28.4	Very low	25.9	Very low	157 Å²	157	138.7 Å²	138.7	81%	0.805	76%	0.759	S	S	*	*	S	Bend	trans	77.1	90.1	-177.4	-49.7	174.8	0	0	0	115.7
13	F	25.2	Very low	26.4	Very low	192 Å²	192	139.3 Å²	139.3	84%	0.842	75%	0.752	S	S	*	*			trans	38.6	93.8	144.3	-72.7	-91.2	0	0	0	121.3	L15	F13-L15 PolarHBondContact O-N 3.09Å; F13-L15 VanDerWaalsContact O-N 3.17Å
14	G	23.2	Very low	26.6	Very low	76 Å²	76	137.7 Å²	137.7	78%	0.784	75%	0.745	S	S	*	*				74.2	18.9	108.2	0	0	0	0	0	121.2	R16	G14-R16 VanDerWaalsContact C-N 3.28Å; G14-R16 PolarHBondContact O-N 2.81Å
15	L	28.8	Very low	26.9	Very low	135 Å²	135	138 Å²	138	71%	0.707	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-77.1	16.3	-173.4	-69.4	171.9	0	0	0	117.7	F13 Q17 C18	F13-L15 PolarHBondContact O-N 3.09Å; F13-L15 VanDerWaalsContact O-N 3.17Å; L15-Q17 PolarHBondContact O-N 2.8Å; L15-Q17 VanDerWaalsContact O-N 3.13Å; L15-C18 HydrophobicContact CD2-CB 3.87Å; L15-C18 PolarHBondContact O-N 3.42Å
16	R	27	Very low	27.4	Very low	257 Å²	257	135.2 Å²	135.2	97%	0.97	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-67.6	-8.4	177.6	-103.4	-171.1	-179.4	-164.7	0.9	115	G14	G14-R16 VanDerWaalsContact C-N 3.28Å; G14-R16 PolarHBondContact O-N 2.81Å
17	Q	28.7	Very low	27.6	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-104.8	-14.4	175.5	-78.8	178.9	-30.1	0	0	114.8	L15 R19	L15-Q17 PolarHBondContact O-N 2.8Å; L15-Q17 VanDerWaalsContact O-N 3.13Å; Q17-R19 PolarHBondContact O-N 3.39Å
18	C	28.2	Very low	28	Very low	45 Å²	45	133.6 Å²	133.6	30%	0.304	71%	0.705	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	15.8	-170.1	-71.9	0	0	0	0	116.3	L15 S20	L15-C18 HydrophobicContact CD2-CB 3.87Å; L15-C18 PolarHBondContact O-N 3.42Å; C18-S20 PolarHBondContact O-N 2.82Å
19	R	28.3	Very low	28.5	Very low	255 Å²	255	130.5 Å²	130.5	96%	0.962	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-12.7	175.9	-97.8	-171.7	173.1	-166.8	-2.4	114.5	Q17	Q17-R19 PolarHBondContact O-N 3.39Å
20	S	30	Very low	29.1	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-14.5	-179	50.3	0	0	0	0	115.3	C18	C18-S20 PolarHBondContact O-N 2.82Å
21	A	30.7	Very low	29.5	Very low	52 Å²	52	128.7 Å²	128.7	43%	0.43	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-34.6	-170.2	0	0	0	0	0	114.7	V23 G24	A21-V23 PolarHBondContact O-N 3.09Å; A21-G24 PolarHBondContact O-N 3.24Å
22	L	31.3	Very low	30.2	Very low	92 Å²	92	127.9 Å²	127.9	48%	0.482	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	23.4	-164.9	-67.3	165.4	0	0	0	116	R26 I29	L22-R26 PolarHBondContact O-NE 3.09Å; L22-I29 HydrophobicContact CD2-CD1 4.41Å
23	V	34.3	Very low	30.6	Very low	113 Å²	113	121.5 Å²	121.5	69%	0.685	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-33.6	170.9	-174.6	0	0	0	0	111.1	A21	A21-V23 PolarHBondContact O-N 3.09Å
24	G	30.7	Very low	31.1	Very low	69 Å²	69	115.6 Å²	115.6	71%	0.711	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-42.7	-177	0	0	0	0	0	115.2	A21 R26	A21-G24 PolarHBondContact O-N 3.24Å; G24-R26 PolarHBondContact O-N 3.4Å; G24-R26 VanDerWaalsContact O-N 3.1Å
25	E	33.6	Very low	31.8	Very low	111 Å²	111	117.5 Å²	117.5	52%	0.519	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	4.6	-166.8	-63.9	175.9	132.6	0	0	114.9	R27 H28 I29	E25-R27 PolarHBondContact O-N 2.92Å; E25-H28 PolarHBondContact O-N 2.92Å; E25-H28 VanDerWaalsContact O-N 3.08Å; E25-I29 PolarHBondContact O-N 3.24Å
26	R	33.2	Very low	32.6	Very low	148 Å²	148	113.4 Å²	113.4	56%	0.558	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-11.7	-173.2	-65.1	-173.9	178.3	-158.9	1.7	115.8	L22 G24 F30	L22-R26 PolarHBondContact O-NE 3.09Å; G24-R26 PolarHBondContact O-N 3.4Å; G24-R26 VanDerWaalsContact O-N 3.1Å; R26-F30 WeakPolarHBondContact O-CD2 3.26Å
27	R	28.2	Very low	33.6	Very low	212 Å²	212	108.5 Å²	108.5	80%	0.8	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-45.1	172.6	-66.4	-173.3	-177	178.5	1.8	112.4	E25 I29 F30 T31	E25-R27 PolarHBondContact O-N 2.92Å; R27-I29 PolarHBondContact O-N 3.46Å; R27-F30 PolarHBondContact O-N 3.07Å; R27-T31 PolarHBondContact O-N 3.03Å; R27-T31 PolarHBondContact O-OG1 2.92Å
28	H	29.2	Very low	34.3	Very low	136 Å²	136	101 Å²	101	63%	0.63	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-43.2	-175.2	-78.8	-78.1	0	0	0	112.8	E25 F30 T31 E32	E25-H28 PolarHBondContact O-N 2.92Å; E25-H28 VanDerWaalsContact O-N 3.08Å; H28-F30 VanDerWaalsContact C-N 3.31Å; H28-F30 PolarHBondContact O-N 2.79Å; H28-T31 PolarHBondContact O-N 3.24Å; H28-T31 VanDerWaalsContact O-N 3.13Å; H28-E32 PolarHBondContact O-N 3.4Å
29	I	33.6	Very low	35	Very low	62 Å²	62	99.2 Å²	99.2	32%	0.318	51%	0.507	S	S	.	.	H	α-helix	trans	-59.3	-43.7	177.8	-60.8	172.1	0	0	0	110.8	L22 E25 R27 E32 V33	L22-I29 HydrophobicContact CD2-CD1 4.41Å; E25-I29 PolarHBondContact O-N 3.24Å; R27-I29 PolarHBondContact O-N 3.46Å; I29-E32 PolarHBondContact O-N 3.33Å; I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 2.85Å
30	F	33.3	Very low	35.8	Very low	126 Å²	126	87.4 Å²	87.4	55%	0.553	46%	0.463	S	S	*	.	H	α-helix	trans	-69.7	-32.9	177.5	-77.1	-106.1	0	0	0	112.3	R26 R27 H28 V33 S34	R26-F30 WeakPolarHBondContact O-CD2 3.26Å; R27-F30 PolarHBondContact O-N 3.07Å; H28-F30 VanDerWaalsContact C-N 3.31Å; H28-F30 PolarHBondContact O-N 2.79Å; F30-V33 PolarHBondContact O-N 3.34Å; F30-S34 PolarHBondContact O-N 3.04Å
31	T	31	Very low	36.2	Very low	69 Å²	69	84.2 Å²	84.2	42%	0.423	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-40.6	173.6	-53.3	0	0	0	0	111.9	R27 H28 S34 K35	R27-T31 PolarHBondContact O-N 3.03Å; R27-T31 PolarHBondContact O-OG1 2.92Å; H28-T31 PolarHBondContact O-N 3.24Å; H28-T31 VanDerWaalsContact O-N 3.13Å; T31-S34 PolarHBondContact O-N 3.42Å; T31-S34 PolarHBondContact O-OG 3.19Å; T31-K35 PolarHBondContact O-N 3.26Å
32	E	36.5	Very low	37	Very low	97 Å²	97	83.8 Å²	83.8	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-41.6	172.9	-60.9	-48.5	129.9	0	0	111.7	H28 I29 S34 K35	H28-E32 PolarHBondContact O-N 3.4Å; I29-E32 PolarHBondContact O-N 3.33Å; E32-S34 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact O-CB 3.39Å; E32-K35 PolarHBondContact O-N 3.26Å; E32-K35 WeakPolarHBondContact OE1-CE 3.48Å; E32-K35 IonicContact OE1-NZ 3.48Å; E32-K35 PolarHBondContact OE1-NZ 2.99Å; E32-K35 WeakPolarHBondContact OE2-CD 3.47Å; E32-K35 WeakPolarHBondContact OE2-CE 3.49Å; E32-K35 IonicContact OE2-NZ 2.79Å; E32-K35 PolarHBondContact OE2-NZ 3.1Å
33	V	38	Very low	37.6	Very low	22 Å²	22	83.2 Å²	83.2	13%	0.133	42%	0.418	C	S	.	.	H	α-helix	trans	-59.5	-32.9	173.8	170.6	0	0	0	0	112.1	I29 F30 K35 L36 R42 F45	I29-V33 WeakPolarHBondContact O-CG2 3.39Å; I29-V33 PolarHBondContact O-N 2.85Å; F30-V33 PolarHBondContact O-N 3.34Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 3.05Å; V33-L36 HydrophobicContact CB-CD1 4.45Å; V33-L36 HydrophobicContact CG1-CD1 4.4Å; V33-L36 HydrophobicContact CG2-CD1 4.4Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 3.19Å; V33-R42 HydrophobicContact CG1-CG 4.46Å; V33-F45 HydrophobicContact CG2-CD1 3.82Å; V33-F45 HydrophobicContact CG2-CE1 4.25Å; V33-F45 HydrophobicContact CG2-CG 4.46Å
34	S	36.3	Very low	38	Very low	68 Å²	68	79.6 Å²	79.6	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-69.2	-21.1	174.1	72.4	0	0	0	0	114.6	F30 T31 E32 L36 R42	F30-S34 PolarHBondContact O-N 3.04Å; T31-S34 PolarHBondContact O-N 3.42Å; T31-S34 PolarHBondContact O-OG 3.19Å; E32-S34 PolarHBondContact O-N 3.03Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-R42 PolarHBondContact O-NH2 3.4Å
35	K	37.1	Very low	38.5	Very low	117 Å²	117	80.8 Å²	80.8	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-82.8	-11	174.4	-60.4	177.2	-157.7	164.5	0	113.2	T31 E32 V33 N37	T31-K35 PolarHBondContact O-N 3.26Å; E32-K35 WeakPolarHBondContact O-CB 3.39Å; E32-K35 PolarHBondContact O-N 3.26Å; E32-K35 WeakPolarHBondContact OE1-CE 3.48Å; E32-K35 IonicContact OE1-NZ 3.48Å; E32-K35 PolarHBondContact OE1-NZ 2.99Å; E32-K35 WeakPolarHBondContact OE2-CD 3.47Å; E32-K35 WeakPolarHBondContact OE2-CE 3.49Å; E32-K35 IonicContact OE2-NZ 2.79Å; E32-K35 PolarHBondContact OE2-NZ 3.1Å; V33-K35 VanDerWaalsContact C-N 3.29Å; V33-K35 PolarHBondContact O-N 3.05Å; K35-N37 PolarHBondContact O-N 2.99Å; K35-N37 VanDerWaalsContact O-N 3.16Å; K35-N37 PolarHBondContact O-OD1 3.21Å
36	L	45.7	Very low	39.2	Very low	48 Å²	48	77.5 Å²	77.5	25%	0.251	36%	0.363	S	S	.	.			trans	-68.2	111.7	168.9	-56.1	173.2	0	0	0	106.9	V33 S34 C38 T41 R42	V33-L36 HydrophobicContact CB-CD1 4.45Å; V33-L36 HydrophobicContact CG1-CD1 4.4Å; V33-L36 HydrophobicContact CG2-CD1 4.4Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 3.19Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-C38 PolarHBondContact O-N 2.85Å; L36-C38 VanDerWaalsContact O-N 3.08Å; L36-T41 HydrophobicContact CB-CG2 4.4Å; L36-T41 HydrophobicContact CD1-CG2 4.15Å; L36-T41 HydrophobicContact CD2-CG2 3.96Å; L36-T41 HydrophobicContact CG-CG2 4.39Å; L36-R42 HydrophobicContact CB-CG 3.92Å; L36-R42 HydrophobicContact CD1-CG 4.42Å; L36-R42 PolarHBondContact O-NE 2.89Å; L36-R42 PolarHBondContact O-NH2 3.13Å
37	N	48.2	Very low	39.8	Very low	155 Å²	155	72.9 Å²	72.9	83%	0.829	35%	0.348	S	S	*	.			trans	-73.6	5.3	-170.1	-70.1	-36.1	0	0	0	114.4	K35	K35-N37 PolarHBondContact O-N 2.99Å; K35-N37 VanDerWaalsContact O-N 3.16Å; K35-N37 PolarHBondContact O-OD1 3.21Å
38	C	43.2	Very low	40.4	Very low	19 Å²	19	67.2 Å²	67.2	13%	0.128	33%	0.332	C	S	.	.	S	Bend	trans	-155.9	150	-149.4	-124	0	0	0	0	112.3	L36 R42 I148 E149	L36-C38 PolarHBondContact O-N 2.85Å; L36-C38 VanDerWaalsContact O-N 3.08Å; C38-R42 VanDerWaalsContact O-CG 3.31Å; C38-R42 WeakPolarHBondContact O-CG 3.46Å; C38-R42 PolarHBondContact O-N 3.37Å; C38-I148 PolarHBondContact SG-O 3.01Å; C38-I148 VanDerWaalsContact SG-O 3.33Å; C38-E149 HydrophobicContact CB-CG 4.09Å; C38-E149 VanDerWaalsContact CB-OE1 3.23Å; C38-E149 WeakPolarHBondContact CB-OE1 3.46Å; C38-E149 VanDerWaalsContact CB-OE2 3.29Å; C38-E149 WeakPolarHBondContact CB-OE2 3.32Å
39	C	43.7	Very low	41	Very low	7 Å²	7	62.6 Å²	62.6	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-75.8	-41.5	-152	-64.7	0	0	0	0	115.7	R42 W43 F113 E139 I148 E149	C39-R42 WeakPolarHBondContact O-CB 3.3Å; C39-W43 PolarHBondContact O-N 2.86Å; C39-F113 HydrophobicContact CB-CD2 3.38Å; C39-F113 HydrophobicContact CB-CE2 3.71Å; C39-F113 HydrophobicContact CB-CG 4.22Å; C39-F113 WeakPolarHBondContact O-CE2 3.33Å; C39-F113 WeakPolarHBondContact O-CZ 3.39Å; C39-F113 VanDerWaalsContact SG-CD2 3.58Å; C39-E139 PolarHBondContact SG-OE1 3.33Å; C39-E139 VanDerWaalsContact SG-OE1 3.42Å; C39-I148 PolarHBondContact SG-N 2.67Å; C39-I148 VanDerWaalsContact SG-N 3.4Å; C39-E149 HydrophobicContact CB-CB 4.02Å; C39-E149 PolarHBondContact N-OE2 3.47Å
40	V	43.3	Very low	41.7	Very low	7 Å²	7	62.4 Å²	62.4	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-109.7	-9.3	-172.9	179.3	0	0	0	0	112.4	R42 W43 I44 E149 H150 E151	V40-R42 VanDerWaalsContact C-N 3.27Å; V40-W43 HydrophobicContact CB-CB 4.12Å; V40-W43 HydrophobicContact CG1-CB 4.02Å; V40-W43 HydrophobicContact CG1-CD2 4.33Å; V40-W43 HydrophobicContact CG1-CE3 3.72Å; V40-W43 HydrophobicContact CG2-CB 3.99Å; V40-W43 PolarHBondContact O-N 2.91Å; V40-I44 HydrophobicContact CG1-CD1 4.08Å; V40-I44 HydrophobicContact CG1-CG1 4Å; V40-I44 VanDerWaalsContact O-CB 3.23Å; V40-I44 WeakPolarHBondContact O-CB 3.17Å; V40-I44 WeakPolarHBondContact O-CD1 3.43Å; V40-I44 WeakPolarHBondContact O-CG1 3.24Å; V40-I44 PolarHBondContact O-N 3.32Å; V40-E149 HydrophobicContact CB-CB 3.99Å; V40-E149 HydrophobicContact CG2-CB 4.38Å; V40-E149 VanDerWaalsContact CG2-O 3.31Å; V40-E149 WeakPolarHBondContact CG2-O 3.31Å; V40-E149 PolarHBondContact N-OE2 2.95Å; V40-H150 VanDerWaalsContact C-ND1 3.31Å; V40-H150 HydrophobicContact CB-CB 3.67Å; V40-H150 VanDerWaalsContact CB-N 3.32Å; V40-H150 WeakPolarHBondContact CB-ND1 3.45Å; V40-H150 HydrophobicContact CG1-CB 3.58Å; V40-H150 WeakPolarHBondContact CG1-ND1 3.31Å; V40-H150 HydrophobicContact CG2-CB 4.46Å; V40-H150 VanDerWaalsContact CG2-N 3.28Å; V40-E151 HydrophobicContact CG1-CG 4.43Å
41	T	38.4	Very low	42.2	Very low	38 Å²	38	61.3 Å²	61.3	23%	0.233	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-44.7	148.9	-56.4	0	0	0	0	109.2	L36 F45 E149 H150	L36-T41 HydrophobicContact CB-CG2 4.4Å; L36-T41 HydrophobicContact CD1-CG2 4.15Å; L36-T41 HydrophobicContact CD2-CG2 3.96Å; L36-T41 HydrophobicContact CG-CG2 4.39Å; T41-F45 WeakPolarHBondContact O-CB 3.34Å; T41-F45 PolarHBondContact O-N 3.24Å; T41-E149 WeakPolarHBondContact CB-OE2 3.35Å; T41-E149 PolarHBondContact N-OE2 3.13Å; T41-E149 PolarHBondContact OG1-OE1 2.97Å; T41-E149 PolarHBondContact OG1-OE2 3.32Å; T41-E149 VanDerWaalsContact OG1-OE2 3.13Å; T41-H150 PolarHBondContact N-CE1 2.63Å; T41-H150 VanDerWaalsContact N-CE1 3.32Å; T41-H150 PolarHBondContact OG1-CE1 3.4Å
42	R	48.3	Very low	42.7	Very low	44 Å²	44	65.4 Å²	65.4	17%	0.166	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-46	170.2	-74.9	176	-179.6	-159.3	5.5	112.7	V33 S34 L36 C38 C39 V40 F45 Y46 N111 F113	V33-R42 HydrophobicContact CG1-CG 4.46Å; S34-R42 PolarHBondContact O-NH2 3.4Å; L36-R42 HydrophobicContact CB-CG 3.92Å; L36-R42 HydrophobicContact CD1-CG 4.42Å; L36-R42 PolarHBondContact O-NE 2.89Å; L36-R42 PolarHBondContact O-NH2 3.13Å; C38-R42 VanDerWaalsContact O-CG 3.31Å; C38-R42 WeakPolarHBondContact O-CG 3.46Å; C38-R42 PolarHBondContact O-N 3.37Å; C39-R42 WeakPolarHBondContact O-CB 3.3Å; V40-R42 VanDerWaalsContact C-N 3.27Å; R42-F45 PolarHBondContact O-N 3.43Å; R42-Y46 VanDerWaalsContact O-CB 3.27Å; R42-Y46 WeakPolarHBondContact O-CB 3.47Å; R42-Y46 PolarHBondContact O-N 2.8Å; R42-N111 PolarHBondContact NH1-ND2 3.22Å; R42-F113 HydrophobicContact CB-CZ 4.37Å
43	W	43.1	Very low	43	Very low	80 Å²	80	66.4 Å²	66.4	30%	0.303	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-39.1	-179.9	-176.8	82	0	0	0	113.6	C39 V40 Y46 Q47	C39-W43 PolarHBondContact O-N 2.86Å; V40-W43 HydrophobicContact CB-CB 4.12Å; V40-W43 HydrophobicContact CG1-CB 4.02Å; V40-W43 HydrophobicContact CG1-CD2 4.33Å; V40-W43 HydrophobicContact CG1-CE3 3.72Å; V40-W43 HydrophobicContact CG2-CB 3.99Å; V40-W43 PolarHBondContact O-N 2.91Å; W43-Y46 CarbonylContact O-C 3.6Å; W43-Y46 WeakPolarHBondContact O-CA 3.28Å; W43-Y46 WeakPolarHBondContact O-CB 3.38Å; W43-Y46 PolarHBondContact O-N 3.24Å; W43-Y46 VanDerWaalsContact O-N 3.1Å; W43-Q47 HydrophobicContact CD2-CG 3.88Å; W43-Q47 HydrophobicContact CE3-CG 3.98Å; W43-Q47 HydrophobicContact CH2-CG 4.15Å; W43-Q47 HydrophobicContact CZ2-CG 3.99Å; W43-Q47 VanDerWaalsContact CZ2-NE2 3.3Å; W43-Q47 HydrophobicContact CZ3-CG 4.14Å; W43-Q47 WeakPolarHBondContact O-CG 3.4Å; W43-Q47 PolarHBondContact O-N 3.01Å
44	I	43.1	Very low	43	Very low	36 Å²	36	68.9 Å²	68.9	19%	0.185	35%	0.353	C	S	.	.	H	α-helix	trans	-64.3	-45.3	175.5	-71.3	165.7	0	0	0	109.7	V40 Y46 Q47 I48 Y179	V40-I44 HydrophobicContact CG1-CD1 4.08Å; V40-I44 HydrophobicContact CG1-CG1 4Å; V40-I44 VanDerWaalsContact O-CB 3.23Å; V40-I44 WeakPolarHBondContact O-CB 3.17Å; V40-I44 WeakPolarHBondContact O-CD1 3.43Å; V40-I44 WeakPolarHBondContact O-CG1 3.24Å; V40-I44 PolarHBondContact O-N 3.32Å; I44-Y46 PolarHBondContact O-N 2.77Å; I44-Q47 PolarHBondContact O-N 3.45Å; I44-I48 HydrophobicContact CG2-CD1 3.92Å; I44-I48 VanDerWaalsContact O-CG1 3.27Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 2.96Å; I44-Y179 HydrophobicContact CD1-CE1 3.73Å; I44-Y179 HydrophobicContact CD1-CE2 4.46Å; I44-Y179 WeakPolarHBondContact CD1-OH 3.42Å
45	F	41.7	Very low	43.2	Very low	95 Å²	95	69.4 Å²	69.4	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-34.4	172	-130.8	-89.5	0	0	0	111.9	V33 T41 R42 L49	V33-F45 HydrophobicContact CG2-CD1 3.82Å; V33-F45 HydrophobicContact CG2-CE1 4.25Å; V33-F45 HydrophobicContact CG2-CG 4.46Å; T41-F45 WeakPolarHBondContact O-CB 3.34Å; T41-F45 PolarHBondContact O-N 3.24Å; R42-F45 PolarHBondContact O-N 3.43Å; F45-L49 HydrophobicContact CD1-CD1 4.05Å; F45-L49 HydrophobicContact CD1-CG 4.39Å; F45-L49 WeakPolarHBondContact O-CB 3.43Å; F45-L49 WeakPolarHBondContact O-CD1 3.25Å; F45-L49 WeakPolarHBondContact O-CG 3.36Å; F45-L49 PolarHBondContact O-N 2.83Å
46	Y	48.9	Very low	43.6	Very low	41 Å²	41	72.1 Å²	72.1	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-69.8	-39.5	174.9	-167.5	-99.5	0	0	0	112.4	R42 W43 I44 L49 Q50 M240	R42-Y46 VanDerWaalsContact O-CB 3.27Å; R42-Y46 WeakPolarHBondContact O-CB 3.47Å; R42-Y46 PolarHBondContact O-N 2.8Å; W43-Y46 CarbonylContact O-C 3.6Å; W43-Y46 WeakPolarHBondContact O-CA 3.28Å; W43-Y46 WeakPolarHBondContact O-CB 3.38Å; W43-Y46 PolarHBondContact O-N 3.24Å; W43-Y46 VanDerWaalsContact O-N 3.1Å; I44-Y46 PolarHBondContact O-N 2.77Å; Y46-L49 CarbonylContact O-C 3.58Å; Y46-L49 PolarHBondContact O-N 3.34Å; Y46-Q50 HydrophobicContact CD1-CG 3.58Å; Y46-Q50 HydrophobicContact CD2-CG 4.49Å; Y46-Q50 HydrophobicContact CE1-CG 3.42Å; Y46-Q50 VanDerWaalsContact CE1-CG 3.42Å; Y46-Q50 HydrophobicContact CE2-CG 4.37Å; Y46-Q50 HydrophobicContact CG-CG 4.14Å; Y46-Q50 WeakPolarHBondContact O-CB 3.27Å; Y46-Q50 VanDerWaalsContact O-CG 3.25Å; Y46-Q50 WeakPolarHBondContact O-CG 3.45Å; Y46-Q50 PolarHBondContact O-N 3.42Å; Y46-Q50 PolarHBondContact OH-NE2 3.31Å; Y46-M240 HydrophobicContact CE1-CE 4.07Å; Y46-M240 HydrophobicContact CE1-SD 3.91Å; Y46-M240 WeakPolarHBondContact OH-CE 3.4Å
47	Q	45	Very low	43.6	Very low	52 Å²	52	80.9 Å²	80.9	24%	0.243	41%	0.411	C	S	.	.	H	α-helix	trans	-65	-40.9	173.4	-67.7	-58.6	-21.9	0	0	111.2	W43 I44 L49 Q50 T51	W43-Q47 HydrophobicContact CD2-CG 3.88Å; W43-Q47 HydrophobicContact CE3-CG 3.98Å; W43-Q47 HydrophobicContact CH2-CG 4.15Å; W43-Q47 HydrophobicContact CZ2-CG 3.99Å; W43-Q47 VanDerWaalsContact CZ2-NE2 3.3Å; W43-Q47 HydrophobicContact CZ3-CG 4.14Å; W43-Q47 WeakPolarHBondContact O-CG 3.4Å; W43-Q47 PolarHBondContact O-N 3.01Å; I44-Q47 PolarHBondContact O-N 3.45Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.16Å; Q47-Q50 PolarHBondContact O-N 3.03Å; Q47-T51 WeakPolarHBondContact O-CB 3.47Å; Q47-T51 WeakPolarHBondContact O-CG2 3.36Å; Q47-T51 PolarHBondContact O-N 3.34Å; Q47-T51 PolarHBondContact O-OG1 2.91Å
48	I	41.9	Very low	43.9	Very low	92 Å²	92	76.7 Å²	76.7	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-35.9	172.8	-66.8	165.6	0	0	0	111.5	I44 T51	I44-I48 HydrophobicContact CG2-CD1 3.92Å; I44-I48 VanDerWaalsContact O-CG1 3.27Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 2.96Å; I48-T51 PolarHBondContact O-OG1 3.46Å
49	L	41.8	Very low	45	Very low	39 Å²	39	79.5 Å²	79.5	20%	0.204	41%	0.405	C	S	.	.	H	α-helix	trans	-76.6	-45.3	174.7	-72.6	166.3	0	0	0	112.7	F45 Y46 Q47 T51 H52 F53	F45-L49 HydrophobicContact CD1-CD1 4.05Å; F45-L49 HydrophobicContact CD1-CG 4.39Å; F45-L49 WeakPolarHBondContact O-CB 3.43Å; F45-L49 WeakPolarHBondContact O-CD1 3.25Å; F45-L49 WeakPolarHBondContact O-CG 3.36Å; F45-L49 PolarHBondContact O-N 2.83Å; Y46-L49 CarbonylContact O-C 3.58Å; Y46-L49 PolarHBondContact O-N 3.34Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.16Å; L49-T51 PolarHBondContact O-N 3.45Å; L49-H52 WeakPolarHBondContact O-CA 3.46Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 3.48Å; L49-F53 HydrophobicContact CD2-CE2 4.32Å; L49-F53 WeakPolarHBondContact O-CD2 3.21Å; L49-F53 PolarHBondContact O-N 3.3Å
50	Q	47.4	Very low	46.1	Very low	59 Å²	59	89 Å²	89	28%	0.276	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-35	-175.4	-72.1	-55.9	-29.5	0	0	112.6	Y46 Q47 H52 F53	Y46-Q50 HydrophobicContact CD1-CG 3.58Å; Y46-Q50 HydrophobicContact CD2-CG 4.49Å; Y46-Q50 HydrophobicContact CE1-CG 3.42Å; Y46-Q50 VanDerWaalsContact CE1-CG 3.42Å; Y46-Q50 HydrophobicContact CE2-CG 4.37Å; Y46-Q50 HydrophobicContact CG-CG 4.14Å; Y46-Q50 WeakPolarHBondContact O-CB 3.27Å; Y46-Q50 VanDerWaalsContact O-CG 3.25Å; Y46-Q50 WeakPolarHBondContact O-CG 3.45Å; Y46-Q50 PolarHBondContact O-N 3.42Å; Y46-Q50 PolarHBondContact OH-NE2 3.31Å; Q47-Q50 PolarHBondContact O-N 3.03Å; Q50-H52 PolarHBondContact O-N 2.91Å; Q50-F53 PolarHBondContact O-N 3.48Å
51	T	43.9	Very low	47.6	Very low	102 Å²	102	89.7 Å²	89.7	63%	0.626	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-5.9	169.6	48.2	0	0	0	0	113.9	Q47 I48 L49	Q47-T51 WeakPolarHBondContact O-CB 3.47Å; Q47-T51 WeakPolarHBondContact O-CG2 3.36Å; Q47-T51 PolarHBondContact O-N 3.34Å; Q47-T51 PolarHBondContact O-OG1 2.91Å; I48-T51 PolarHBondContact O-OG1 3.46Å; L49-T51 PolarHBondContact O-N 3.45Å
52	H	41.4	Very low	49.4	Very low	155 Å²	155	91 Å²	91	72%	0.718	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-5.2	172.4	-67.2	-23.9	0	0	0	115.3	L49 Q50	L49-H52 WeakPolarHBondContact O-CA 3.46Å; L49-H52 WeakPolarHBondContact O-CB 3.38Å; L49-H52 PolarHBondContact O-N 3.48Å; Q50-H52 PolarHBondContact O-N 2.91Å
53	F	42.2	Very low	50.8	Low	118 Å²	118	90.7 Å²	90.7	52%	0.518	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-9.5	-175.9	-79	-63.9	0	0	0	116.3	L49 Q50 A55	L49-F53 HydrophobicContact CD2-CE2 4.32Å; L49-F53 WeakPolarHBondContact O-CD2 3.21Å; L49-F53 PolarHBondContact O-N 3.3Å; Q50-F53 PolarHBondContact O-N 3.48Å; F53-A55 VanDerWaalsContact C-N 3.29Å; F53-A55 PolarHBondContact O-N 3.06Å
54	A	38.6	Very low	52.5	Low	74 Å²	74	90 Å²	90	61%	0.612	46%	0.455	S	S	*	.			trans	-74.8	66.2	-177.6	0	0	0	0	0	114.3
55	A	40	Very low	54.1	Low	79 Å²	79	90.5 Å²	90.5	65%	0.653	46%	0.461	S	S	*	.			trans	-152.2	146.4	174	0	0	0	0	0	115	F53	F53-A55 VanDerWaalsContact C-N 3.29Å; F53-A55 PolarHBondContact O-N 3.06Å
56	L	45.3	Very low	56	Low	175 Å²	175	86.4 Å²	86.4	92%	0.916	45%	0.446	S	S	*	.	S	Bend	trans	76.4	6	160	-57.2	170.4	0	0	0	120.7
57	R	46.7	Very low	57.7	Low	232 Å²	232	89 Å²	89	88%	0.875	46%	0.463	S	S	*	.	S	Bend	trans	-140.8	142.1	167.3	-68.6	-172	177.1	178.8	-1.1	112.8	L59	R57-L59 PolarHBondContact O-N 3.34Å
58	P	55	Low	59.9	Low	67 Å²	67	88 Å²	88	44%	0.435	47%	0.466	S	S	.	.			trans	-66	129.2	171.1	28.4	-33.4	0	0	0	109.5	Q89 R91	P58-Q89 WeakPolarHBondContact CA-O 3.44Å; P58-Q89 WeakPolarHBondContact CB-O 3.24Å; P58-R91 HydrophobicContact CB-CB 4.2Å; P58-R91 HydrophobicContact CB-CG 3.9Å; P58-R91 HydrophobicContact CG-CB 4.47Å; P58-R91 HydrophobicContact CG-CG 4.11Å
59	L	64.5	Low	62.3	Low	78 Å²	78	84.1 Å²	84.1	41%	0.408	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-74.1	157.7	-178.3	-168.8	67.1	0	0	0	110.6	R57 V61 Q89 L90 R91 V274	R57-L59 PolarHBondContact O-N 3.34Å; L59-V61 HydrophobicContact CD2-CG2 4.41Å; L59-Q89 PolarHBondContact N-O 3.26Å; L59-L90 HydrophobicContact CB-CD2 3.98Å; L59-L90 HydrophobicContact CD2-CD2 4.29Å; L59-L90 CarbonylContact O-C 3.45Å; L59-L90 WeakPolarHBondContact O-CA 3.38Å; L59-R91 PolarHBondContact O-N 3.5Å; L59-V274 HydrophobicContact CD2-CB 3.67Å; L59-V274 HydrophobicContact CD2-CG1 3.35Å; L59-V274 HydrophobicContact CD2-CG2 4.2Å
60	R	67.7	Low	64.6	Low	205 Å²	205	82.4 Å²	82.4	77%	0.774	44%	0.438	S	S	*	.			trans	-119.1	136.9	165.5	-40	-165.1	-140.5	149.9	6.8	109.3	R91	R60-R91 WeakPolarHBondContact CB-O 3.4Å; R60-R91 VanDerWaalsContact CG-O 3.26Å; R60-R91 WeakPolarHBondContact CG-O 3.42Å
61	V	73.7	Confident	66.6	Low	22 Å²	22	82.7 Å²	82.7	13%	0.133	45%	0.445	C	S	.	.			trans	-116.2	155.4	172.8	-168.9	0	0	0	0	107.1	L59 L90 R94 M270	L59-V61 HydrophobicContact CD2-CG2 4.41Å; V61-L90 HydrophobicContact CG2-CD1 4.09Å; V61-L90 HydrophobicContact CG2-CD2 4.17Å; V61-R94 CarbonylContact C-O 3.57Å; V61-R94 WeakPolarHBondContact CB-O 3.43Å; V61-R94 WeakPolarHBondContact CG1-O 3.27Å; V61-R94 VanDerWaalsContact O-CB 3.31Å; V61-R94 WeakPolarHBondContact O-CB 3.23Å; V61-R94 PolarHBondContact O-N 3.32Å; V61-M270 HydrophobicContact CB-SD 4.43Å; V61-M270 HydrophobicContact CG1-CE 4.32Å; V61-M270 HydrophobicContact CG1-SD 3.48Å; V61-M270 WeakPolarHBondContact CG1-SD 3.07Å; V61-M270 HydrophobicContact CG2-CE 4.35Å; V61-M270 HydrophobicContact CG2-SD 4.1Å
62	T	76.2	Confident	68.8	Low	67 Å²	67	79.3 Å²	79.3	41%	0.411	42%	0.422	S	S	.	.			trans	-126.7	154.2	-173.7	-59.6	0	0	0	0	112.7	R94 L95 F96	T62-R94 CarbonylContact C-O 3.58Å; T62-R94 VanDerWaalsContact CA-CB 3.44Å; T62-R94 PolarHBondContact N-O 3.05Å; T62-R94 VanDerWaalsContact N-O 3.09Å; T62-R94 CarbonylContact O-C 3.39Å; T62-L95 VanDerWaalsContact C-N 3.34Å; T62-L95 CarbonylContact O-C 3.54Å; T62-L95 WeakPolarHBondContact O-CA 2.91Å; T62-L95 PolarHBondContact O-N 2.71Å; T62-L95 VanDerWaalsContact O-N 3.07Å; T62-F96 VanDerWaalsContact CB-CE2 3.42Å; T62-F96 HydrophobicContact CG2-CD2 4.11Å; T62-F96 HydrophobicContact CG2-CE2 3.41Å; T62-F96 VanDerWaalsContact CG2-CE2 3.41Å; T62-F96 HydrophobicContact CG2-CZ 3.72Å; T62-F96 WeakPolarHBondContact O-CD2 3.46Å; T62-F96 PolarHBondContact O-N 3.02Å
63	L	78	Confident	71.3	Confident	36 Å²	36	72 Å²	72	19%	0.188	39%	0.388	C	S	.	.			trans	-131.8	134.6	-157.3	-169.6	40.3	0	0	0	108.9	P65 R94 L95	L63-P65 HydrophobicContact CD1-CB 4.05Å; L63-R94 VanDerWaalsContact CB-CA 3.45Å; L63-R94 HydrophobicContact CB-CB 3.31Å; L63-R94 HydrophobicContact CB-CG 3.56Å; L63-R94 HydrophobicContact CD2-CB 4.26Å; L63-R94 HydrophobicContact CD2-CG 4.1Å; L63-R94 HydrophobicContact CG-CB 4.43Å; L63-R94 HydrophobicContact CG-CG 4.47Å; L63-R94 VanDerWaalsContact N-CB 3.34Å; L63-L95 VanDerWaalsContact CA-C 3.47Å; L63-L95 VanDerWaalsContact CA-N 3.25Å; L63-L95 WeakPolarHBondContact CA-O 3.43Å; L63-L95 HydrophobicContact CD1-CB 4.32Å; L63-L95 WeakPolarHBondContact CD1-O 3.36Å
64	I	78.7	Confident	73.5	Confident	65 Å²	65	66.5 Å²	66.5	33%	0.333	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-128.9	128.7	132.1	22.3	77.7	0	0	0	104.7	G66 F96 I97	I64-G66 PolarHBondContact O-N 3.38Å; I64-G66 VanDerWaalsContact O-N 3.08Å; I64-F96 HydrophobicContact CD1-CD1 3.58Å; I64-F96 HydrophobicContact CD1-CE1 4.24Å; I64-F96 HydrophobicContact CG1-CD1 3.61Å; I64-F96 HydrophobicContact CG1-CE1 3.86Å; I64-I97 WeakPolarHBondContact CD1-O 3.26Å; I64-I97 PolarHBondContact O-N 3.39Å
65	P	78.3	Confident	76.1	Confident	47 Å²	47	68.5 Å²	68.5	31%	0.305	36%	0.361	S	S	.	.			trans	-68.4	-5.4	-175.2	28.1	-34.9	0	0	0	112.9	L63 G70 P71 S74	L63-P65 HydrophobicContact CD1-CB 4.05Å; P65-G70 CarbonylContact O-C 3.59Å; P65-G70 WeakPolarHBondContact O-CA 3.29Å; P65-P71 HydrophobicContact CB-CB 4.42Å; P65-P71 HydrophobicContact CB-CG 4.25Å; P65-P71 HydrophobicContact CG-CG 4.35Å; P65-S74 WeakPolarHBondContact CA-OG 3.34Å; P65-S74 WeakPolarHBondContact CB-OG 3.18Å; P65-S74 PolarHBondContact O-OG 3.07Å
66	G	81.1	Confident	78.6	Confident	10 Å²	10	64.8 Å²	64.8	10%	0.103	33%	0.331	C	S	.	.			trans	79.2	-177.5	-172.5	0	0	0	0	0	112.4	I64 I97	I64-G66 PolarHBondContact O-N 3.38Å; I64-G66 VanDerWaalsContact O-N 3.08Å; G66-I97 WeakPolarHBondContact CA-O 3.37Å; G66-I97 PolarHBondContact N-O 3.33Å
67	D	85.4	Confident	80.8	Confident	96 Å²	96	56.6 Å²	56.6	51%	0.513	29%	0.288	S	S	.	.	S	Bend	trans	-101.9	164.8	176.2	-59.7	-56.2	0	0	0	110.8	I69 G70 T248	D67-I69 PolarHBondContact O-N 3.33Å; D67-G70 PolarHBondContact O-N 2.9Å; D67-T248 HydrophobicContact CB-CG2 4.27Å
68	G	90.8	Very high	82.8	Confident	31 Å²	31	49 Å²	49	32%	0.32	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-123.8	176.9	0	0	0	0	0	112.8	G70 P71 T248 A253	G68-G70 PolarHBondContact O-N 3.45Å; G68-P71 WeakPolarHBondContact O-CD 3.1Å; G68-T248 CarbonylContact C-O 3.52Å; G68-T248 WeakPolarHBondContact CA-O 3.37Å; G68-A253 VanDerWaalsContact C-CB 3.4Å
69	I	91.7	Very high	84.6	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.046	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.8	175.3	59.4	167.7	0	0	0	114	D67 E72 I73 T248 A249 I252 A253 A258	D67-I69 PolarHBondContact O-N 3.33Å; I69-E72 VanDerWaalsContact O-CB 3.3Å; I69-E72 WeakPolarHBondContact O-CB 3.39Å; I69-E72 PolarHBondContact O-N 3.03Å; I69-I73 PolarHBondContact O-N 2.93Å; I69-T248 PolarHBondContact N-O 3.18Å; I69-A249 HydrophobicContact CD1-CB 4.06Å; I69-A249 HydrophobicContact CG1-CB 4.22Å; I69-A249 HydrophobicContact CG2-CB 3.95Å; I69-I252 HydrophobicContact CG2-CD1 4.03Å; I69-I252 HydrophobicContact CG2-CG1 3.74Å; I69-A253 HydrophobicContact CG2-CB 4.4Å; I69-A258 HydrophobicContact CB-CB 3.74Å; I69-A258 HydrophobicContact CD1-CB 4.08Å; I69-A258 HydrophobicContact CG1-CB 4.5Å; I69-A258 HydrophobicContact CG2-CB 3.76Å
70	G	89.6	Confident	85.9	Confident	4 Å²	4	45.7 Å²	45.7	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-47.3	-49.9	-173.6	0	0	0	0	0	115.5	P65 D67 G68 E72 I73 S74	P65-G70 CarbonylContact O-C 3.59Å; P65-G70 WeakPolarHBondContact O-CA 3.29Å; D67-G70 PolarHBondContact O-N 2.9Å; G68-G70 PolarHBondContact O-N 3.45Å; G70-E72 VanDerWaalsContact C-N 3.33Å; G70-E72 PolarHBondContact O-N 2.85Å; G70-I73 VanDerWaalsContact O-CG1 3.28Å; G70-I73 WeakPolarHBondContact O-CG1 3.04Å; G70-S74 WeakPolarHBondContact O-CB 3.02Å; G70-S74 PolarHBondContact O-N 2.74Å; G70-S74 PolarHBondContact O-OG 2.68Å
71	P	89.8	Confident	86.9	Confident	65 Å²	65	36.2 Å²	36.2	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-32.8	176	-25.6	36.5	0	0	0	114.9	P65 G68 H75	P65-P71 HydrophobicContact CB-CB 4.42Å; P65-P71 HydrophobicContact CB-CG 4.25Å; P65-P71 HydrophobicContact CG-CG 4.35Å; G68-P71 WeakPolarHBondContact O-CD 3.1Å; P71-H75 VanDerWaalsContact O-CB 3.3Å; P71-H75 WeakPolarHBondContact O-CB 3.28Å; P71-H75 PolarHBondContact O-N 2.74Å
72	E	90.9	Very high	87.6	Confident	30 Å²	30	41.6 Å²	41.6	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-53.1	179.8	-166.8	176	112.6	0	0	110.2	I69 G70 S74 H75 S76 G254 Q255 D256 L257 A258 C307	I69-E72 VanDerWaalsContact O-CB 3.3Å; I69-E72 WeakPolarHBondContact O-CB 3.39Å; I69-E72 PolarHBondContact O-N 3.03Å; G70-E72 VanDerWaalsContact C-N 3.33Å; G70-E72 PolarHBondContact O-N 2.85Å; E72-S74 VanDerWaalsContact C-N 3.35Å; E72-S74 PolarHBondContact O-N 3.13Å; E72-H75 PolarHBondContact O-N 3.09Å; E72-S76 PolarHBondContact O-N 3.37Å; E72-G254 VanDerWaalsContact OE2-CA 3.29Å; E72-G254 WeakPolarHBondContact OE2-CA 3.47Å; E72-G254 PolarHBondContact OE2-N 2.98Å; E72-Q255 PolarHBondContact OE2-N 3.13Å; E72-D256 VanDerWaalsContact CD-CA 3.5Å; E72-D256 VanDerWaalsContact OE1-CA 3.27Å; E72-D256 WeakPolarHBondContact OE1-CA 3.31Å; E72-D256 PolarHBondContact OE1-N 3.07Å; E72-D256 PolarHBondContact OE2-N 3.32Å; E72-L257 PolarHBondContact OE1-N 3.33Å; E72-A258 VanDerWaalsContact OE1-CB 3.24Å; E72-A258 WeakPolarHBondContact OE1-CB 3.38Å; E72-A258 PolarHBondContact OE1-N 2.78Å; E72-C307 HydrophobicContact CG-CB 4.23Å
73	I	92.3	Very high	88.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-32.9	176.7	61.9	175.3	0	0	0	112.5	I69 G70 S76 V77 A258 P260 L263	I69-I73 PolarHBondContact O-N 2.93Å; G70-I73 VanDerWaalsContact O-CG1 3.28Å; G70-I73 WeakPolarHBondContact O-CG1 3.04Å; I73-S76 WeakPolarHBondContact O-CB 3.15Å; I73-S76 PolarHBondContact O-N 3.07Å; I73-V77 WeakPolarHBondContact O-CG2 3.34Å; I73-V77 PolarHBondContact O-N 3.01Å; I73-A258 HydrophobicContact CG2-CB 3.61Å; I73-P260 HydrophobicContact CB-CB 4.19Å; I73-P260 HydrophobicContact CG2-CB 4.13Å; I73-L263 HydrophobicContact CB-CD2 4.09Å; I73-L263 HydrophobicContact CD1-CB 4.25Å; I73-L263 HydrophobicContact CD1-CD2 3.98Å; I73-L263 HydrophobicContact CG1-CD2 3.78Å
74	S	90.3	Very high	88.5	Confident	4 Å²	4	39 Å²	39	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-45.9	172.9	-65.6	0	0	0	0	111.3	P65 G70 E72 S76 V77 Q78 I97	P65-S74 WeakPolarHBondContact CA-OG 3.34Å; P65-S74 WeakPolarHBondContact CB-OG 3.18Å; P65-S74 PolarHBondContact O-OG 3.07Å; G70-S74 WeakPolarHBondContact O-CB 3.02Å; G70-S74 PolarHBondContact O-N 2.74Å; G70-S74 PolarHBondContact O-OG 2.68Å; E72-S74 VanDerWaalsContact C-N 3.35Å; E72-S74 PolarHBondContact O-N 3.13Å; S74-S76 VanDerWaalsContact C-N 3.35Å; S74-V77 PolarHBondContact O-N 2.71Å; S74-Q78 WeakPolarHBondContact O-CB 3.27Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.27Å; S74-Q78 PolarHBondContact O-N 3.45Å; S74-I97 VanDerWaalsContact OG-CD1 3.28Å; S74-I97 WeakPolarHBondContact OG-CD1 2.88Å
75	H	91.5	Very high	88.8	Confident	115 Å²	115	41.1 Å²	41.1	53%	0.532	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-37.1	178.8	-177.5	56.7	0	0	0	112.1	P71 E72 Q78 K79	P71-H75 VanDerWaalsContact O-CB 3.3Å; P71-H75 WeakPolarHBondContact O-CB 3.28Å; P71-H75 PolarHBondContact O-N 2.74Å; E72-H75 PolarHBondContact O-N 3.09Å; H75-Q78 PolarHBondContact O-N 3.39Å; H75-K79 PolarHBondContact O-N 2.79Å
76	S	92.5	Very high	88.7	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-54.3	170	174.6	0	0	0	0	112	E72 I73 S74 Q78 K79 I80 P260 T311	E72-S76 PolarHBondContact O-N 3.37Å; I73-S76 WeakPolarHBondContact O-CB 3.15Å; I73-S76 PolarHBondContact O-N 3.07Å; S74-S76 VanDerWaalsContact C-N 3.35Å; S76-Q78 VanDerWaalsContact C-N 3.32Å; S76-Q78 PolarHBondContact O-N 3.17Å; S76-K79 WeakPolarHBondContact O-CB 3.33Å; S76-K79 PolarHBondContact O-N 3.46Å; S76-I80 WeakPolarHBondContact O-CG1 3.21Å; S76-I80 PolarHBondContact O-N 3.27Å; S76-P260 WeakPolarHBondContact OG-CB 3.41Å; S76-P260 WeakPolarHBondContact OG-CG 3.28Å; S76-T311 VanDerWaalsContact CB-OG1 3.28Å; S76-T311 WeakPolarHBondContact CB-OG1 3.45Å; S76-T311 PolarHBondContact OG-OG1 2.94Å
77	V	91.7	Very high	87.9	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-38.4	179.3	172.8	0	0	0	0	111.7	I73 S74 I80 F81 L95 L263 L264	I73-V77 WeakPolarHBondContact O-CG2 3.34Å; I73-V77 PolarHBondContact O-N 3.01Å; S74-V77 PolarHBondContact O-N 2.71Å; V77-I80 PolarHBondContact O-N 3.43Å; V77-F81 HydrophobicContact CG1-CD1 4.06Å; V77-F81 HydrophobicContact CG1-CE1 4.07Å; V77-F81 HydrophobicContact CG1-CG 4.48Å; V77-F81 HydrophobicContact CG1-CZ 4.5Å; V77-F81 WeakPolarHBondContact O-CB 3.3Å; V77-F81 WeakPolarHBondContact O-CD1 3.35Å; V77-F81 PolarHBondContact O-N 2.89Å; V77-L95 HydrophobicContact CG1-CD2 4.11Å; V77-L263 HydrophobicContact CB-CD2 4.38Å; V77-L263 HydrophobicContact CG2-CB 4.32Å; V77-L263 HydrophobicContact CG2-CD2 3.78Å; V77-L263 HydrophobicContact CG2-CG 3.94Å; V77-L264 HydrophobicContact CG1-CD1 4.3Å; V77-L264 HydrophobicContact CG2-CB 4.05Å; V77-L264 HydrophobicContact CG2-CD1 4Å
78	Q	89.7	Confident	86.5	Confident	71 Å²	71	40.4 Å²	40.4	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-44.5	174.5	-74.9	-177.7	-83.3	0	0	112.4	S74 H75 S76 F81 E82	S74-Q78 WeakPolarHBondContact O-CB 3.27Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.27Å; S74-Q78 PolarHBondContact O-N 3.45Å; H75-Q78 PolarHBondContact O-N 3.39Å; S76-Q78 VanDerWaalsContact C-N 3.32Å; S76-Q78 PolarHBondContact O-N 3.17Å; Q78-F81 CarbonylContact O-C 2.98Å; Q78-F81 PolarHBondContact O-N 3.02Å; Q78-E82 WeakPolarHBondContact O-CB 3.44Å; Q78-E82 PolarHBondContact O-N 2.95Å
79	K	91.7	Very high	85	Confident	76 Å²	76	42.4 Å²	42.4	33%	0.33	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-44.2	173.9	-82.8	170.1	160.9	163	0	112.2	H75 S76 F81 E82 A83 T311	H75-K79 PolarHBondContact O-N 2.79Å; S76-K79 WeakPolarHBondContact O-CB 3.33Å; S76-K79 PolarHBondContact O-N 3.46Å; K79-F81 VanDerWaalsContact C-N 3.27Å; K79-F81 PolarHBondContact O-N 3.31Å; K79-E82 PolarHBondContact O-N 3.46Å; K79-A83 WeakPolarHBondContact O-CB 3.12Å; K79-A83 PolarHBondContact O-N 2.92Å; K79-T311 HydrophobicContact CB-CG2 3.92Å; K79-T311 HydrophobicContact CD-CG2 4.17Å
80	I	91.5	Very high	83.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-31.8	177.9	-64	163.3	0	0	0	110.7	S76 V77 A84 L264 V283 T311 I314 R318	S76-I80 WeakPolarHBondContact O-CG1 3.21Å; S76-I80 PolarHBondContact O-N 3.27Å; V77-I80 PolarHBondContact O-N 3.43Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.48Å; I80-A84 PolarHBondContact O-N 3.35Å; I80-L264 HydrophobicContact CB-CD1 4.18Å; I80-L264 HydrophobicContact CD1-CD1 4.02Å; I80-L264 HydrophobicContact CD1-CD2 3.83Å; I80-L264 HydrophobicContact CG2-CD1 3.82Å; I80-V283 HydrophobicContact CG2-CG1 4.23Å; I80-T311 HydrophobicContact CD1-CG2 4.13Å; I80-T311 HydrophobicContact CG1-CG2 3.9Å; I80-I314 HydrophobicContact CD1-CB 4.3Å; I80-I314 HydrophobicContact CD1-CD1 4.22Å; I80-I314 HydrophobicContact CD1-CG2 4.01Å; I80-I314 HydrophobicContact CG1-CG2 4.08Å; I80-I314 HydrophobicContact CG2-CG2 3.88Å; I80-R318 PolarHBondContact O-NH1 3.02Å
81	F	89.6	Confident	81.3	Confident	7 Å²	7	50.2 Å²	50.2	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-78	-27.4	175.1	-85.2	32.6	0	0	0	113.1	V77 Q78 K79 A84 V86 L87 L90 L264 S267 M270 L271 V283	V77-F81 HydrophobicContact CG1-CD1 4.06Å; V77-F81 HydrophobicContact CG1-CE1 4.07Å; V77-F81 HydrophobicContact CG1-CG 4.48Å; V77-F81 HydrophobicContact CG1-CZ 4.5Å; V77-F81 WeakPolarHBondContact O-CB 3.3Å; V77-F81 WeakPolarHBondContact O-CD1 3.35Å; V77-F81 PolarHBondContact O-N 2.89Å; Q78-F81 CarbonylContact O-C 2.98Å; Q78-F81 PolarHBondContact O-N 3.02Å; K79-F81 VanDerWaalsContact C-N 3.27Å; K79-F81 PolarHBondContact O-N 3.31Å; F81-A84 WeakPolarHBondContact O-CB 3.32Å; F81-A84 PolarHBondContact O-N 2.6Å; F81-V86 HydrophobicContact CB-CB 4.2Å; F81-V86 HydrophobicContact CB-CG1 4.29Å; F81-V86 HydrophobicContact CD2-CB 4.13Å; F81-V86 HydrophobicContact CD2-CG1 3.38Å; F81-V86 HydrophobicContact CE2-CG1 3.73Å; F81-V86 HydrophobicContact CG-CB 4.19Å; F81-V86 HydrophobicContact CG-CG1 3.95Å; F81-V86 PolarHBondContact O-N 3.49Å; F81-L87 HydrophobicContact CB-CD2 3.9Å; F81-L87 HydrophobicContact CB-CG 4.12Å; F81-L87 PolarHBondContact O-N 3.02Å; F81-L90 HydrophobicContact CD2-CD1 4.48Å; F81-L90 HydrophobicContact CE2-CD1 4.47Å; F81-L264 HydrophobicContact CE1-CD1 4.35Å; F81-S267 VanDerWaalsContact CZ-CB 3.5Å; F81-M270 HydrophobicContact CE2-CE 3.88Å; F81-M270 HydrophobicContact CZ-CE 4.42Å; F81-L271 HydrophobicContact CE1-CD1 3.98Å; F81-L271 HydrophobicContact CE2-CD1 4.13Å; F81-L271 HydrophobicContact CE2-CD2 4.21Å; F81-L271 HydrophobicContact CE2-CG 4.19Å; F81-L271 HydrophobicContact CZ-CD1 3.5Å; F81-L271 HydrophobicContact CZ-CD2 4.36Å; F81-L271 HydrophobicContact CZ-CG 3.85Å; F81-V283 HydrophobicContact CE1-CG1 4.36Å; F81-V283 HydrophobicContact CE1-CG2 4.27Å
82	E	87.7	Confident	79.2	Confident	135 Å²	135	50.2 Å²	50.2	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-69.8	-52.9	170.9	-169.9	165.4	-152	0	0	110.2	Q78 K79 A84 E85 L87	Q78-E82 WeakPolarHBondContact O-CB 3.44Å; Q78-E82 PolarHBondContact O-N 2.95Å; K79-E82 PolarHBondContact O-N 3.46Å; E82-A84 PolarHBondContact O-N 2.98Å; E82-E85 PolarHBondContact O-N 3.38Å; E82-L87 HydrophobicContact CB-CD1 3.73Å; E82-L87 HydrophobicContact CG-CD1 4.26Å
83	A	88.5	Confident	76.5	Confident	48 Å²	48	50.6 Å²	50.6	40%	0.397	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.2	171.6	0	0	0	0	0	114.1	K79 C315	K79-A83 WeakPolarHBondContact O-CB 3.12Å; K79-A83 PolarHBondContact O-N 2.92Å; A83-C315 HydrophobicContact CB-CB 4.11Å
84	A	86	Confident	73.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-13	169.3	0	0	0	0	0	113.5	I80 F81 E82 V86 K279 V283 R318	I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.48Å; I80-A84 PolarHBondContact O-N 3.35Å; F81-A84 WeakPolarHBondContact O-CB 3.32Å; F81-A84 PolarHBondContact O-N 2.6Å; E82-A84 PolarHBondContact O-N 2.98Å; A84-V86 HydrophobicContact CB-CB 3.93Å; A84-V86 HydrophobicContact CB-CG2 3.52Å; A84-V86 PolarHBondContact O-N 2.93Å; A84-K279 VanDerWaalsContact O-CD 3.24Å; A84-K279 WeakPolarHBondContact O-CD 3.23Å; A84-K279 WeakPolarHBondContact O-CE 3.25Å; A84-K279 PolarHBondContact O-NZ 3.21Å; A84-V283 HydrophobicContact CB-CG2 4.23Å; A84-R318 VanDerWaalsContact CA-NH2 3.34Å
85	E	83.1	Confident	70.8	Confident	110 Å²	110	58.2 Å²	58.2	51%	0.514	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	24.5	-153.7	-41.3	179.4	109.3	0	0	114.3	E82 L87 C88 K279	E82-E85 PolarHBondContact O-N 3.38Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-C88 PolarHBondContact O-SG 2.92Å; E85-K279 IonicContact OE2-NZ 3.1Å; E85-K279 PolarHBondContact OE2-NZ 3.14Å
86	V	77.3	Confident	68.1	Low	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-34.8	175.7	160.1	0	0	0	0	110.3	F81 A84 C88 Q89 L90 L271 K279	F81-V86 HydrophobicContact CB-CB 4.2Å; F81-V86 HydrophobicContact CB-CG1 4.29Å; F81-V86 HydrophobicContact CD2-CB 4.13Å; F81-V86 HydrophobicContact CD2-CG1 3.38Å; F81-V86 HydrophobicContact CE2-CG1 3.73Å; F81-V86 HydrophobicContact CG-CB 4.19Å; F81-V86 HydrophobicContact CG-CG1 3.95Å; F81-V86 PolarHBondContact O-N 3.49Å; A84-V86 HydrophobicContact CB-CB 3.93Å; A84-V86 HydrophobicContact CB-CG2 3.52Å; A84-V86 PolarHBondContact O-N 2.93Å; V86-C88 PolarHBondContact O-N 2.94Å; V86-Q89 PolarHBondContact O-N 3.1Å; V86-Q89 VanDerWaalsContact O-N 3.09Å; V86-L90 HydrophobicContact CG1-CD1 3.54Å; V86-L90 HydrophobicContact CG1-CG 3.96Å; V86-L90 PolarHBondContact O-N 3.49Å; V86-L90 VanDerWaalsContact O-N 3.09Å; V86-L271 HydrophobicContact CG1-CD2 3.74Å; V86-L271 HydrophobicContact CG2-CD1 4.03Å; V86-L271 HydrophobicContact CG2-CD2 4.2Å; V86-K279 HydrophobicContact CG2-CB 3.66Å; V86-K279 HydrophobicContact CG2-CG 4.15Å
87	L	64.4	Low	65.3	Low	48 Å²	48	56.1 Å²	56.1	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-18.9	-179.3	-56.4	-177.1	0	0	0	114	F81 E82 E85 Q89 T93	F81-L87 HydrophobicContact CB-CD2 3.9Å; F81-L87 HydrophobicContact CB-CG 4.12Å; F81-L87 PolarHBondContact O-N 3.02Å; E82-L87 HydrophobicContact CB-CD1 3.73Å; E82-L87 HydrophobicContact CG-CD1 4.26Å; E85-L87 VanDerWaalsContact C-N 3.3Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-T93 HydrophobicContact CD2-CG2 3.63Å
88	C	56	Low	62.9	Low	89 Å²	89	58.3 Å²	58.3	60%	0.601	30%	0.295	S	S	*	.	H	α-helix	trans	-74.4	-23.6	174.3	80.1	0	0	0	0	112.1	E85 V86	E85-C88 PolarHBondContact O-SG 2.92Å; V86-C88 PolarHBondContact O-N 2.94Å
89	Q	58.1	Low	59.9	Low	73 Å²	73	62.3 Å²	62.3	34%	0.341	31%	0.307	S	S	.	.	H	α-helix	trans	-93.1	-28.2	178.1	-57.4	-179.5	-8	0	0	112.2	P58 L59 V86 L87 L276	P58-Q89 WeakPolarHBondContact CA-O 3.44Å; P58-Q89 WeakPolarHBondContact CB-O 3.24Å; L59-Q89 PolarHBondContact N-O 3.26Å; V86-Q89 PolarHBondContact O-N 3.1Å; V86-Q89 VanDerWaalsContact O-N 3.09Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; Q89-L276 HydrophobicContact CB-CD1 4.3Å; Q89-L276 VanDerWaalsContact OE1-CD2 3.23Å
90	L	58.3	Low	57.3	Low	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-96.6	101.3	174.7	-56.3	-174.9	0	0	0	110.8	L59 V61 F81 V86 T93 M270 L276	L59-L90 HydrophobicContact CB-CD2 3.98Å; L59-L90 HydrophobicContact CD2-CD2 4.29Å; L59-L90 CarbonylContact O-C 3.45Å; L59-L90 WeakPolarHBondContact O-CA 3.38Å; V61-L90 HydrophobicContact CG2-CD1 4.09Å; V61-L90 HydrophobicContact CG2-CD2 4.17Å; F81-L90 HydrophobicContact CD2-CD1 4.48Å; F81-L90 HydrophobicContact CE2-CD1 4.47Å; V86-L90 HydrophobicContact CG1-CD1 3.54Å; V86-L90 HydrophobicContact CG1-CG 3.96Å; V86-L90 PolarHBondContact O-N 3.49Å; V86-L90 VanDerWaalsContact O-N 3.09Å; L90-T93 HydrophobicContact CB-CG2 3.93Å; L90-T93 HydrophobicContact CD1-CG2 3.98Å; L90-T93 PolarHBondContact O-OG1 3.08Å; L90-M270 HydrophobicContact CD1-CE 4.46Å; L90-L276 HydrophobicContact CD2-CD1 4.2Å
91	R	47.2	Very low	54.5	Low	175 Å²	175	71.9 Å²	71.9	66%	0.66	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	130.4	178.6	-84.8	-166.2	178.2	-163.2	-1.8	112.5	P58 L59 R60	P58-R91 HydrophobicContact CB-CB 4.2Å; P58-R91 HydrophobicContact CB-CG 3.9Å; P58-R91 HydrophobicContact CG-CB 4.47Å; P58-R91 HydrophobicContact CG-CG 4.11Å; L59-R91 PolarHBondContact O-N 3.5Å; R60-R91 WeakPolarHBondContact CB-O 3.4Å; R60-R91 VanDerWaalsContact CG-O 3.26Å; R60-R91 WeakPolarHBondContact CG-O 3.42Å
92	G	44.5	Very low	52.7	Low	65 Å²	65	74.8 Å²	74.8	67%	0.67	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	40.6	178.3	0	0	0	0	0	112.1
93	T	34.6	Very low	51.3	Low	39 Å²	39	70.8 Å²	70.8	24%	0.239	36%	0.356	C	S	.	.			trans	-63.8	144.8	-167.4	-27.7	0	0	0	0	114.3	L87 L90	L87-T93 HydrophobicContact CD2-CG2 3.63Å; L90-T93 HydrophobicContact CB-CG2 3.93Å; L90-T93 HydrophobicContact CD1-CG2 3.98Å; L90-T93 PolarHBondContact O-OG1 3.08Å
94	R	30.3	Very low	49.7	Very low	145 Å²	145	69.3 Å²	69.3	55%	0.547	35%	0.346	S	S	.	.			trans	-170.9	150.9	-171.6	-91.3	-160.2	-174.3	-172.1	2.3	106.7	V61 T62 L63	V61-R94 CarbonylContact C-O 3.57Å; V61-R94 WeakPolarHBondContact CB-O 3.43Å; V61-R94 WeakPolarHBondContact CG1-O 3.27Å; V61-R94 VanDerWaalsContact O-CB 3.31Å; V61-R94 WeakPolarHBondContact O-CB 3.23Å; V61-R94 PolarHBondContact O-N 3.32Å; T62-R94 CarbonylContact C-O 3.58Å; T62-R94 VanDerWaalsContact CA-CB 3.44Å; T62-R94 PolarHBondContact N-O 3.05Å; T62-R94 VanDerWaalsContact N-O 3.09Å; T62-R94 CarbonylContact O-C 3.39Å; L63-R94 VanDerWaalsContact CB-CA 3.45Å; L63-R94 HydrophobicContact CB-CB 3.31Å; L63-R94 HydrophobicContact CB-CG 3.56Å; L63-R94 HydrophobicContact CD2-CB 4.26Å; L63-R94 HydrophobicContact CD2-CG 4.1Å; L63-R94 HydrophobicContact CG-CB 4.43Å; L63-R94 HydrophobicContact CG-CG 4.47Å; L63-R94 VanDerWaalsContact N-CB 3.34Å
95	L	32.9	Very low	48.4	Very low	20 Å²	20	75.7 Å²	75.7	11%	0.105	37%	0.371	C	S	.	.			trans	-141.3	116.9	-175.6	179.2	72	0	0	0	114.3	T62 L63 V77 L263 S267 M270	T62-L95 VanDerWaalsContact C-N 3.34Å; T62-L95 CarbonylContact O-C 3.54Å; T62-L95 WeakPolarHBondContact O-CA 2.91Å; T62-L95 PolarHBondContact O-N 2.71Å; T62-L95 VanDerWaalsContact O-N 3.07Å; L63-L95 VanDerWaalsContact CA-C 3.47Å; L63-L95 VanDerWaalsContact CA-N 3.25Å; L63-L95 WeakPolarHBondContact CA-O 3.43Å; L63-L95 HydrophobicContact CD1-CB 4.32Å; L63-L95 WeakPolarHBondContact CD1-O 3.36Å; V77-L95 HydrophobicContact CG1-CD2 4.11Å; L95-L263 HydrophobicContact CD2-CD1 4Å; L95-L263 HydrophobicContact CD2-CD2 4.4Å; L95-L263 HydrophobicContact CD2-CG 4.22Å; L95-S267 VanDerWaalsContact CD2-OG 3.32Å; L95-S267 WeakPolarHBondContact CD2-OG 3.13Å; L95-M270 HydrophobicContact CD1-CE 4.1Å; L95-M270 HydrophobicContact CD1-SD 3.75Å
96	F	33.8	Very low	47.4	Very low	68 Å²	68	72 Å²	72	30%	0.298	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-76.1	122.2	-166.4	-94.7	-78.8	0	0	0	113.7	T62 I64 I241	T62-F96 VanDerWaalsContact CB-CE2 3.42Å; T62-F96 HydrophobicContact CG2-CD2 4.11Å; T62-F96 HydrophobicContact CG2-CE2 3.41Å; T62-F96 VanDerWaalsContact CG2-CE2 3.41Å; T62-F96 HydrophobicContact CG2-CZ 3.72Å; T62-F96 WeakPolarHBondContact O-CD2 3.46Å; T62-F96 PolarHBondContact O-N 3.02Å; I64-F96 HydrophobicContact CD1-CD1 3.58Å; I64-F96 HydrophobicContact CD1-CE1 4.24Å; I64-F96 HydrophobicContact CG1-CD1 3.61Å; I64-F96 HydrophobicContact CG1-CE1 3.86Å; F96-I241 HydrophobicContact CB-CG2 3.97Å
97	I	34.5	Very low	46.6	Very low	5 Å²	5	72 Å²	72	3%	0.026	35%	0.354	C	S	.	.			trans	-131.4	120.4	177.6	-50.7	169.2	0	0	0	112.6	I64 G66 S74 L263	I64-I97 WeakPolarHBondContact CD1-O 3.26Å; I64-I97 PolarHBondContact O-N 3.39Å; G66-I97 WeakPolarHBondContact CA-O 3.37Å; G66-I97 PolarHBondContact N-O 3.33Å; S74-I97 VanDerWaalsContact OG-CD1 3.28Å; S74-I97 WeakPolarHBondContact OG-CD1 2.88Å; I97-L263 HydrophobicContact CD1-CD1 3.51Å; I97-L263 HydrophobicContact CD1-CD2 3.47Å; I97-L263 VanDerWaalsContact CD1-CD2 3.47Å; I97-L263 HydrophobicContact CD1-CG 4.13Å; I97-L263 HydrophobicContact CG1-CD1 3.74Å
98	K	40.4	Very low	46.6	Very low	49 Å²	49	75.8 Å²	75.8	21%	0.213	37%	0.365	C	S	.	.			trans	27	113	152	-142.4	171.5	-166.5	168.2	0	120.5	N100 V245 H246	K98-N100 VanDerWaalsContact CE-OD1 3.27Å; K98-N100 WeakPolarHBondContact CE-OD1 3.46Å; K98-N100 WeakPolarHBondContact CG-OD1 3.18Å; K98-V245 PolarHBondContact NZ-O 3.04Å; K98-H246 PolarHBondContact NZ-O 2.99Å
99	R	27.6	Very low	47.2	Very low	154 Å²	154	77.2 Å²	77.2	58%	0.581	36%	0.363	S	S	*	.			trans	-121.2	113.2	147.1	-173.5	-176.8	-171.2	-156.4	2.4	107.2	L101 L102 Y103	R99-L101 PolarHBondContact O-N 3.16Å; R99-L102 HydrophobicContact CB-CB 4.17Å; R99-L102 HydrophobicContact CG-CB 4.5Å; R99-L102 PolarHBondContact O-N 3.13Å; R99-Y103 PolarHBondContact O-N 2.89Å
100	N	36.8	Very low	47.7	Very low	105 Å²	105	78.1 Å²	78.1	56%	0.561	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.1	-165.5	-73.8	-5.1	0	0	0	115.4	K98	K98-N100 VanDerWaalsContact CE-OD1 3.27Å; K98-N100 WeakPolarHBondContact CE-OD1 3.46Å; K98-N100 WeakPolarHBondContact CG-OD1 3.18Å
101	L	32.7	Very low	48.6	Very low	173 Å²	173	80.7 Å²	80.7	91%	0.906	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.9	178.7	-76.3	162.9	0	0	0	114.8	R99	R99-L101 PolarHBondContact O-N 3.16Å
102	L	53.1	Low	50.2	Low	67 Å²	67	72.4 Å²	72.4	35%	0.351	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-13.2	-178.1	-162	65.4	0	0	0	112.8	R99 G104 Y105 I106	R99-L102 HydrophobicContact CB-CB 4.17Å; R99-L102 HydrophobicContact CG-CB 4.5Å; R99-L102 PolarHBondContact O-N 3.13Å; L102-G104 PolarHBondContact O-N 2.7Å; L102-Y105 HydrophobicContact CD1-CD1 3.9Å; L102-Y105 HydrophobicContact CD1-CG 4.41Å; L102-Y105 WeakPolarHBondContact O-CB 3.36Å; L102-Y105 PolarHBondContact O-N 3.17Å; L102-Y105 VanDerWaalsContact O-N 3.09Å; L102-I106 HydrophobicContact CB-CD1 4.43Å; L102-I106 HydrophobicContact CD2-CD1 4.03Å; L102-I106 HydrophobicContact CD2-CG1 4.49Å; L102-I106 HydrophobicContact CG-CD1 3.99Å; L102-I106 HydrophobicContact CG-CG1 4.15Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.45Å
103	Y	58	Low	51.8	Low	51 Å²	51	69.7 Å²	69.7	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-56.4	-47.6	-175.9	175.9	-94.9	0	0	0	113.9	R99 Y105 I106 S107 N140 N234 E243	R99-Y103 PolarHBondContact O-N 2.89Å; Y103-Y105 PolarHBondContact O-N 2.73Å; Y103-I106 PolarHBondContact O-N 2.98Å; Y103-S107 WeakPolarHBondContact O-CB 3.23Å; Y103-S107 PolarHBondContact O-N 3.42Å; Y103-S107 PolarHBondContact O-OG 3.49Å; Y103-N140 VanDerWaalsContact CE1-OD1 3.22Å; Y103-N140 WeakPolarHBondContact CE1-OD1 3.38Å; Y103-N140 VanDerWaalsContact CZ-OD1 3.29Å; Y103-N140 VanDerWaalsContact OH-CG 3.29Å; Y103-N140 PolarHBondContact OH-ND2 3.39Å; Y103-N140 PolarHBondContact OH-OD1 3.22Å; Y103-N234 PolarHBondContact OH-OD1 3.49Å; Y103-E243 WeakPolarHBondContact CE2-OE1 3.35Å
104	G	54.2	Low	54.3	Low	18 Å²	18	68 Å²	68	19%	0.186	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-23.4	177.9	0	0	0	0	0	113.7	L102 R108	L102-G104 PolarHBondContact O-N 2.7Å; G104-R108 WeakPolarHBondContact O-CG 3.46Å; G104-R108 PolarHBondContact O-N 3.16Å
105	Y	59.8	Low	57.1	Low	134 Å²	134	61.2 Å²	61.2	53%	0.525	28%	0.283	S	S	.	.	H	α-helix	trans	-75.3	-51.9	172.4	-176.6	-112.4	0	0	0	110.7	L102 Y103 S107 R108 E109	L102-Y105 HydrophobicContact CD1-CD1 3.9Å; L102-Y105 HydrophobicContact CD1-CG 4.41Å; L102-Y105 WeakPolarHBondContact O-CB 3.36Å; L102-Y105 PolarHBondContact O-N 3.17Å; L102-Y105 VanDerWaalsContact O-N 3.09Å; Y103-Y105 PolarHBondContact O-N 2.73Å; Y105-S107 VanDerWaalsContact C-N 3.28Å; Y105-S107 PolarHBondContact O-N 3.46Å; Y105-R108 PolarHBondContact O-N 2.97Å; Y105-E109 HydrophobicContact CD1-CG 4.2Å; Y105-E109 HydrophobicContact CD2-CG 4.04Å; Y105-E109 HydrophobicContact CE1-CG 3.8Å; Y105-E109 HydrophobicContact CE2-CG 3.58Å; Y105-E109 WeakPolarHBondContact CE2-OE1 3.46Å; Y105-E109 HydrophobicContact CG-CG 4.3Å; Y105-E109 VanDerWaalsContact CZ-CD 3.49Å; Y105-E109 VanDerWaalsContact CZ-CG 3.43Å; Y105-E109 WeakPolarHBondContact O-CB 3.35Å; Y105-E109 WeakPolarHBondContact O-CG 3.19Å; Y105-E109 PolarHBondContact O-N 2.93Å; Y105-E109 PolarHBondContact OH-OE1 3.39Å
106	I	62	Low	59.9	Low	31 Å²	31	61.5 Å²	61.5	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-43.7	176.6	-68.9	168.9	0	0	0	111.2	L102 Y103 R108 F110 L112 I241	L102-I106 HydrophobicContact CB-CD1 4.43Å; L102-I106 HydrophobicContact CD2-CD1 4.03Å; L102-I106 HydrophobicContact CD2-CG1 4.49Å; L102-I106 HydrophobicContact CG-CD1 3.99Å; L102-I106 HydrophobicContact CG-CG1 4.15Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.45Å; Y103-I106 PolarHBondContact O-N 2.98Å; I106-R108 PolarHBondContact O-N 2.99Å; I106-F110 HydrophobicContact CG2-CD2 3.93Å; I106-F110 HydrophobicContact CG2-CE2 4.4Å; I106-F110 WeakPolarHBondContact O-CD2 3.48Å; I106-F110 PolarHBondContact O-N 3.13Å; I106-L112 HydrophobicContact CG2-CD1 4.3Å; I106-I241 HydrophobicContact CG2-CD1 3.37Å
107	S	60.6	Low	62.7	Low	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-38.8	-179.3	-60	0	0	0	0	112.7	Y103 Y105 N111 L112 N140	Y103-S107 WeakPolarHBondContact O-CB 3.23Å; Y103-S107 PolarHBondContact O-N 3.42Å; Y103-S107 PolarHBondContact O-OG 3.49Å; Y105-S107 VanDerWaalsContact C-N 3.28Å; Y105-S107 PolarHBondContact O-N 3.46Å; S107-N111 CarbonylContact O-C 3.59Å; S107-N111 WeakPolarHBondContact O-CA 3.25Å; S107-N111 PolarHBondContact O-N 3.04Å; S107-L112 PolarHBondContact O-N 3.26Å; S107-N140 WeakPolarHBondContact CB-ND2 3.46Å; S107-N140 PolarHBondContact OG-ND2 3.01Å
108	R	64.2	Low	65.5	Low	128 Å²	128	60.5 Å²	60.5	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-74.7	-44.6	177	-73.6	178	171.3	169.7	1.1	112.5	G104 Y105 I106 F110 N111 T141 E142 E144 Y145	G104-R108 WeakPolarHBondContact O-CG 3.46Å; G104-R108 PolarHBondContact O-N 3.16Å; Y105-R108 PolarHBondContact O-N 2.97Å; I106-R108 PolarHBondContact O-N 2.99Å; R108-F110 PolarHBondContact O-N 3.42Å; R108-N111 PolarHBondContact O-N 3.27Å; R108-T141 PolarHBondContact NE-O 2.96Å; R108-T141 VanDerWaalsContact NE-O 3.15Å; R108-T141 PolarHBondContact NH2-O 2.82Å; R108-E142 PolarHBondContact NH2-O 3.41Å; R108-E144 PolarHBondContact NH2-O 3.34Å; R108-Y145 VanDerWaalsContact NH2-CD1 3.28Å; R108-Y145 VanDerWaalsContact NH2-CE1 3.3Å
109	E	68.8	Low	68	Low	119 Å²	119	58.2 Å²	58.2	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-38	179.8	-70.3	-75.2	158.8	0	0	113.1	Y105	Y105-E109 HydrophobicContact CD1-CG 4.2Å; Y105-E109 HydrophobicContact CD2-CG 4.04Å; Y105-E109 HydrophobicContact CE1-CG 3.8Å; Y105-E109 HydrophobicContact CE2-CG 3.58Å; Y105-E109 WeakPolarHBondContact CE2-OE1 3.46Å; Y105-E109 HydrophobicContact CG-CG 4.3Å; Y105-E109 VanDerWaalsContact CZ-CD 3.49Å; Y105-E109 VanDerWaalsContact CZ-CG 3.43Å; Y105-E109 WeakPolarHBondContact O-CB 3.35Å; Y105-E109 WeakPolarHBondContact O-CG 3.19Å; Y105-E109 PolarHBondContact O-N 2.93Å; Y105-E109 PolarHBondContact OH-OE1 3.39Å
110	F	68.1	Low	71.1	Confident	93 Å²	93	56.2 Å²	56.2	41%	0.408	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.3	178.7	-69.9	-71.3	0	0	0	114.3	I106 R108 L112 A239	I106-F110 HydrophobicContact CG2-CD2 3.93Å; I106-F110 HydrophobicContact CG2-CE2 4.4Å; I106-F110 WeakPolarHBondContact O-CD2 3.48Å; I106-F110 PolarHBondContact O-N 3.13Å; R108-F110 PolarHBondContact O-N 3.42Å; F110-L112 VanDerWaalsContact C-N 3.29Å; F110-L112 HydrophobicContact CB-CD1 4.47Å; F110-L112 HydrophobicContact CB-CD2 4Å; F110-L112 HydrophobicContact CB-CG 3.93Å; F110-L112 PolarHBondContact O-N 3.01Å; F110-A239 HydrophobicContact CB-CB 4.13Å; F110-A239 HydrophobicContact CD1-CB 3.89Å; F110-A239 HydrophobicContact CG-CB 4.19Å
111	N	77.3	Confident	73.7	Confident	55 Å²	55	52.2 Å²	52.2	29%	0.294	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	48.2	-176	-170	56.9	0	0	0	112.6	R42 S107 R108 F113 G236 T237	R42-N111 PolarHBondContact NH1-ND2 3.22Å; S107-N111 CarbonylContact O-C 3.59Å; S107-N111 WeakPolarHBondContact O-CA 3.25Å; S107-N111 PolarHBondContact O-N 3.04Å; R108-N111 PolarHBondContact O-N 3.27Å; N111-F113 WeakPolarHBondContact O-CD1 3.34Å; N111-F113 PolarHBondContact O-N 3.31Å; N111-G236 WeakPolarHBondContact O-CA 3.45Å; N111-T237 PolarHBondContact ND2-OG1 2.83Å
112	L	79.8	Confident	76.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	95.4	174.8	-50.8	180	0	0	0	108.5	I106 S107 F110 N140 N234 I235 A239 I241	I106-L112 HydrophobicContact CG2-CD1 4.3Å; S107-L112 PolarHBondContact O-N 3.26Å; F110-L112 VanDerWaalsContact C-N 3.29Å; F110-L112 HydrophobicContact CB-CD1 4.47Å; F110-L112 HydrophobicContact CB-CD2 4Å; F110-L112 HydrophobicContact CB-CG 3.93Å; F110-L112 PolarHBondContact O-N 3.01Å; L112-N140 WeakPolarHBondContact O-CB 3.13Å; L112-N140 PolarHBondContact O-ND2 3.31Å; L112-N234 HydrophobicContact CB-CB 4.36Å; L112-N234 HydrophobicContact CD1-CB 4.03Å; L112-I235 CarbonylContact C-O 3.5Å; L112-I235 WeakPolarHBondContact CA-O 3.43Å; L112-A239 HydrophobicContact CD2-CB 4.32Å; L112-A239 WeakPolarHBondContact CD2-O 3.31Å; L112-I241 HydrophobicContact CD1-CB 4.26Å; L112-I241 HydrophobicContact CD1-CD1 3.68Å; L112-I241 HydrophobicContact CD1-CG1 3.89Å
113	F	78.7	Confident	77.6	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-30.5	-169.3	52.4	-106.9	0	0	0	113.6	C39 R42 N111 E139 N140 I235 T237	C39-F113 HydrophobicContact CB-CD2 3.38Å; C39-F113 HydrophobicContact CB-CE2 3.71Å; C39-F113 HydrophobicContact CB-CG 4.22Å; C39-F113 WeakPolarHBondContact O-CE2 3.33Å; C39-F113 WeakPolarHBondContact O-CZ 3.39Å; C39-F113 VanDerWaalsContact SG-CD2 3.58Å; R42-F113 HydrophobicContact CB-CZ 4.37Å; N111-F113 WeakPolarHBondContact O-CD1 3.34Å; N111-F113 PolarHBondContact O-N 3.31Å; F113-E139 VanDerWaalsContact O-CD 3.28Å; F113-N140 WeakPolarHBondContact O-CB 3.39Å; F113-N140 PolarHBondContact O-N 3.18Å; F113-I235 HydrophobicContact CE2-CG2 4.45Å; F113-I235 HydrophobicContact CZ-CG2 4.33Å; F113-I235 PolarHBondContact N-O 2.7Å; F113-T237 HydrophobicContact CE1-CG2 4.01Å
114	A	86	Confident	78.5	Confident	4 Å²	4	46 Å²	46	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.4	-176.7	0	0	0	0	0	112.4	I137 R138 N234 I235	A114-I137 HydrophobicContact CB-CG2 4.34Å; A114-R138 CarbonylContact C-O 3.57Å; A114-R138 WeakPolarHBondContact CA-O 3.46Å; A114-N234 CarbonylContact O-C 3.58Å; A114-N234 WeakPolarHBondContact O-CA 3.37Å; A114-I235 PolarHBondContact N-O 2.98Å; A114-I235 PolarHBondContact O-N 2.86Å
115	N	90	Very high	79.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.5	167.8	-178.4	-98.9	0	0	0	108.7	R117 R138 N234	N115-R117 VanDerWaalsContact OD1-CD 3.3Å; N115-R117 WeakPolarHBondContact OD1-CD 3.37Å; N115-R117 WeakPolarHBondContact OD1-CG 3.42Å; N115-R117 PolarHBondContact OD1-NE 3.06Å; N115-R138 HydrophobicContact CB-CB 4.12Å; N115-R138 HydrophobicContact CB-CG 4.11Å; N115-R138 PolarHBondContact N-O 3.08Å; N115-R138 PolarHBondContact O-N 2.75Å; N115-N234 WeakPolarHBondContact CB-OD1 3.35Å; N115-N234 PolarHBondContact ND2-OD1 3.32Å
116	V	91.4	Very high	80.9	Confident	27 Å²	27	49.4 Å²	49.4	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.1	179.7	-174.9	0	0	0	0	109.2	V135 I137 S232 G233 I235 M269	V116-V135 HydrophobicContact CG1-CG1 3.8Å; V116-I137 HydrophobicContact CG1-CG1 4.26Å; V116-I137 HydrophobicContact CG2-CG1 4.29Å; V116-S232 CarbonylContact O-C 3.5Å; V116-S232 WeakPolarHBondContact O-CA 3.39Å; V116-G233 PolarHBondContact N-O 2.79Å; V116-G233 PolarHBondContact O-N 2.71Å; V116-I235 HydrophobicContact CG2-CG1 4.02Å; V116-M269 HydrophobicContact CB-CE 4.44Å; V116-M269 HydrophobicContact CG1-CE 4.31Å
117	R	93.6	Very high	82.2	Confident	17 Å²	17	49.4 Å²	49.4	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	96.2	-180	-76.9	171	-174.6	-154.4	1.4	109.9	N115 T136 D214 S217 D218 V245	N115-R117 VanDerWaalsContact OD1-CD 3.3Å; N115-R117 WeakPolarHBondContact OD1-CD 3.37Å; N115-R117 WeakPolarHBondContact OD1-CG 3.42Å; N115-R117 PolarHBondContact OD1-NE 3.06Å; R117-T136 VanDerWaalsContact CB-OG1 3.29Å; R117-T136 WeakPolarHBondContact CB-OG1 3.44Å; R117-T136 PolarHBondContact N-O 3.44Å; R117-T136 PolarHBondContact O-N 3.29Å; R117-T136 PolarHBondContact O-OG1 3.49Å; R117-D214 IonicContact NH2-OD1 2.78Å; R117-S217 VanDerWaalsContact CD-CB 3.42Å; R117-S217 WeakPolarHBondContact CD-OG 3.49Å; R117-S217 PolarHBondContact NH1-OG 2.8Å; R117-D218 IonicContact CZ-OD1 3.61Å; R117-D218 IonicContact NH1-OD1 2.68Å; R117-D218 PolarHBondContact NH1-OD1 2.69Å; R117-V245 HydrophobicContact CG-CG2 4.15Å
118	P	93.4	Very high	83.6	Confident	35 Å²	35	57 Å²	57	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.5	173.1	31.4	-31.3	0	0	0	110.7	V135 P231 M269	P118-V135 HydrophobicContact CB-CG2 4.34Å; P118-P231 HydrophobicContact CG-CG 3.92Å; P118-M269 HydrophobicContact CG-CE 4.21Å; P118-M269 HydrophobicContact CG-SD 3.91Å
119	S	92.4	Very high	84.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	99.2	176.3	-60.7	0	0	0	0	109.2	I134 C220	S119-I134 PolarHBondContact N-O 2.82Å; S119-I134 PolarHBondContact O-N 3.17Å; S119-C220 WeakPolarHBondContact OG-CB 3.36Å
120	K	92.6	Very high	85.9	Confident	112 Å²	112	53.1 Å²	53.1	49%	0.487	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.3	-178	-165.9	-173.5	-152.7	86.2	0	111.8	I122 V132 D133	K120-I122 PolarHBondContact O-N 3.42Å; K120-V132 CarbonylContact C-O 3.48Å; K120-V132 VanDerWaalsContact CA-O 3.31Å; K120-V132 WeakPolarHBondContact CA-O 3.48Å; K120-D133 WeakPolarHBondContact CG-OD1 3.36Å; K120-D133 IonicContact NZ-OD1 3.2Å; K120-D133 PolarHBondContact NZ-OD1 3.42Å; K120-D133 IonicContact NZ-OD2 3.74Å; K120-D133 PolarHBondContact NZ-OD2 2.94Å
121	S	91.6	Very high	87	Confident	21 Å²	21	54.8 Å²	54.8	15%	0.147	30%	0.296	C	S	.	.			trans	-60.7	125.4	171.5	-67.7	0	0	0	0	110.4	P123 Y129 N131 V132	S121-P123 WeakPolarHBondContact O-CD 3.38Å; S121-Y129 PolarHBondContact OG-O 3.28Å; S121-Y129 VanDerWaalsContact OG-O 3.13Å; S121-N131 PolarHBondContact OG-N 3.4Å; S121-V132 PolarHBondContact N-O 2.9Å; S121-V132 WeakPolarHBondContact OG-CB 3.45Å; S121-V132 WeakPolarHBondContact OG-CG2 3.34Å; S121-V132 PolarHBondContact OG-N 3.46Å
122	I	86	Confident	87.7	Confident	11 Å²	11	52.3 Å²	52.3	6%	0.056	28%	0.282	C	S	.	.			trans	-81.5	118.3	-177.5	-69.6	152.4	0	0	0	109.7	K120 G124 Y125 V229 L288 L291	K120-I122 PolarHBondContact O-N 3.42Å; I122-G124 PolarHBondContact O-N 2.82Å; I122-Y125 PolarHBondContact O-N 3.2Å; I122-V229 HydrophobicContact CD1-CB 3.84Å; I122-V229 HydrophobicContact CD1-CG1 4.1Å; I122-V229 HydrophobicContact CD1-CG2 4.05Å; I122-L288 HydrophobicContact CG1-CD2 4.18Å; I122-L288 HydrophobicContact CG2-CD2 3.99Å; I122-L291 HydrophobicContact CD1-CD1 4.12Å; I122-L291 HydrophobicContact CG2-CB 3.81Å; I122-L291 HydrophobicContact CG2-CD1 3.93Å; I122-L291 HydrophobicContact CG2-CG 4.48Å
123	P	81.3	Confident	88.4	Confident	84 Å²	84	56.2 Å²	56.2	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	112.3	-174.6	-25.8	35.7	0	0	0	112.9	S121 K292	S121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-K292 WeakPolarHBondContact O-CB 3.12Å; P123-K292 WeakPolarHBondContact O-CD 3.29Å; P123-K292 VanDerWaalsContact O-CG 3.24Å; P123-K292 WeakPolarHBondContact O-CG 3.48Å
124	G	76.8	Confident	88.9	Confident	64 Å²	64	55.8 Å²	55.8	66%	0.66	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	-13.5	-179.4	0	0	0	0	0	115.1	I122	I122-G124 PolarHBondContact O-N 2.82Å
125	Y	82.6	Confident	89.2	Confident	46 Å²	46	57.6 Å²	57.6	18%	0.18	31%	0.312	C	S	.	.			trans	-89.4	108.4	166.5	-176.9	-106	0	0	0	108.8	I122 T127 L301	I122-Y125 PolarHBondContact O-N 3.2Å; Y125-T127 HydrophobicContact CD1-CG2 3.91Å; Y125-T127 HydrophobicContact CE1-CG2 3.9Å; Y125-L301 HydrophobicContact CE1-CD2 4.37Å; Y125-L301 HydrophobicContact CE2-CB 4.06Å; Y125-L301 HydrophobicContact CE2-CD2 4.11Å
126	K	82.1	Confident	89.2	Confident	179 Å²	179	57.5 Å²	57.5	78%	0.778	31%	0.311	S	S	*	.			trans	-82.7	122.9	-172.7	-175.4	176	-178.2	179.7	0	111.6
127	T	88.2	Confident	89.1	Confident	31 Å²	31	57.3 Å²	57.3	19%	0.19	31%	0.309	C	S	.	.			trans	-111.9	-159.4	169.7	81.1	0	0	0	0	110.5	Y125 Y129 L223	Y125-T127 HydrophobicContact CD1-CG2 3.91Å; Y125-T127 HydrophobicContact CE1-CG2 3.9Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 PolarHBondContact OG1-N 3.18Å; T127-Y129 PolarHBondContact OG1-O 3.26Å; T127-Y129 VanDerWaalsContact OG1-O 3.11Å; T127-L223 PolarHBondContact OG1-O 3.4Å
128	L	89.9	Confident	88.8	Confident	160 Å²	160	57.4 Å²	57.4	84%	0.838	31%	0.31	S	S	*	.	S	Bend	trans	-80.2	-12.8	167.1	-65.4	174.7	0	0	0	113
129	Y	92.3	Very high	88.2	Confident	56 Å²	56	55.9 Å²	55.9	22%	0.22	30%	0.299	C	S	.	.			trans	-132.6	119	-171.8	-61.6	-85	0	0	0	112.3	S121 T127 V197 P200 L223	S121-Y129 PolarHBondContact OG-O 3.28Å; S121-Y129 VanDerWaalsContact OG-O 3.13Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 PolarHBondContact OG1-N 3.18Å; T127-Y129 PolarHBondContact OG1-O 3.26Å; T127-Y129 VanDerWaalsContact OG1-O 3.11Å; Y129-V197 WeakPolarHBondContact CE1-O 3.41Å; Y129-V197 PolarHBondContact OH-O 2.92Å; Y129-P200 HydrophobicContact CD1-CG 3.65Å; Y129-P200 HydrophobicContact CE1-CG 4.24Å; Y129-P200 HydrophobicContact CG-CG 4.25Å; Y129-L223 HydrophobicContact CD2-CB 4.1Å; Y129-L223 HydrophobicContact CD2-CD2 3.67Å; Y129-L223 HydrophobicContact CD2-CG 4.5Å; Y129-L223 HydrophobicContact CE1-CD2 4.33Å; Y129-L223 HydrophobicContact CE2-CD2 3.45Å; Y129-L223 VanDerWaalsContact CE2-CD2 3.45Å; Y129-L223 HydrophobicContact CG-CB 4.45Å; Y129-L223 HydrophobicContact CG-CD2 4.21Å
130	D	89.8	Confident	87.5	Confident	108 Å²	108	55.9 Å²	55.9	58%	0.578	30%	0.299	S	S	*	.	S	Bend	trans	-93.7	149.9	174.1	-66.1	-54.5	0	0	0	111.3	V132	D130-V132 VanDerWaalsContact C-N 3.34Å; D130-V132 PolarHBondContact O-N 3.41Å
131	N	91	Very high	86.1	Confident	129 Å²	129	51.8 Å²	51.8	69%	0.69	28%	0.284	S	S	*	.	S	Bend	trans	61	27.5	173.7	-46	-66.2	0	0	0	116.6	S121	S121-N131 PolarHBondContact OG-N 3.4Å
132	V	92.7	Very high	84.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	31%	0.305	C	S	.	.			trans	-68.7	134.8	168.6	-170.8	0	0	0	0	109.4	K120 S121 D130 I134 P200 L223 I224	K120-V132 CarbonylContact C-O 3.48Å; K120-V132 VanDerWaalsContact CA-O 3.31Å; K120-V132 WeakPolarHBondContact CA-O 3.48Å; S121-V132 PolarHBondContact N-O 2.9Å; S121-V132 WeakPolarHBondContact OG-CB 3.45Å; S121-V132 WeakPolarHBondContact OG-CG2 3.34Å; S121-V132 PolarHBondContact OG-N 3.46Å; D130-V132 VanDerWaalsContact C-N 3.34Å; D130-V132 PolarHBondContact O-N 3.41Å; V132-I134 HydrophobicContact CG1-CD1 3.79Å; V132-I134 HydrophobicContact CG1-CG1 3.83Å; V132-P200 HydrophobicContact CG1-CB 4.35Å; V132-P200 HydrophobicContact CG2-CB 4.25Å; V132-P200 HydrophobicContact CG2-CG 3.81Å; V132-L223 HydrophobicContact CG1-CD1 4.35Å; V132-L223 HydrophobicContact CG2-CB 4.33Å; V132-I224 HydrophobicContact CB-CG2 3.93Å; V132-I224 HydrophobicContact CG1-CG2 3.98Å; V132-I224 HydrophobicContact CG2-CG2 4.47Å
133	D	93.2	Very high	83.1	Confident	84 Å²	84	59 Å²	59	45%	0.449	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	55.1	176.4	-159.8	11.2	0	0	0	111.4	K120	K120-D133 WeakPolarHBondContact CG-OD1 3.36Å; K120-D133 IonicContact NZ-OD1 3.2Å; K120-D133 PolarHBondContact NZ-OD1 3.42Å; K120-D133 IonicContact NZ-OD2 3.74Å; K120-D133 PolarHBondContact NZ-OD2 2.94Å
134	I	90.9	Very high	81.3	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	-170.9	-56.8	171.3	0	0	0	110.1	S119 V132 T136 L196 P200 L206 L223	S119-I134 PolarHBondContact N-O 2.82Å; S119-I134 PolarHBondContact O-N 3.17Å; V132-I134 HydrophobicContact CG1-CD1 3.79Å; V132-I134 HydrophobicContact CG1-CG1 3.83Å; I134-T136 HydrophobicContact CG2-CG2 4.27Å; I134-L196 HydrophobicContact CD1-CD2 3.46Å; I134-L196 VanDerWaalsContact CD1-CD2 3.46Å; I134-P200 HydrophobicContact CD1-CB 3.92Å; I134-L206 HydrophobicContact CG2-CD1 3.71Å; I134-L206 HydrophobicContact CG2-CG 3.91Å; I134-L223 HydrophobicContact CD1-CD1 4.29Å
135	V	91.6	Very high	79	Confident	41 Å²	41	62.9 Å²	62.9	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.1	167.8	-169.3	0	0	0	0	110.4	V116 P118 I137 D204 V205 L206	V116-V135 HydrophobicContact CG1-CG1 3.8Å; P118-V135 HydrophobicContact CB-CG2 4.34Å; V135-I137 HydrophobicContact CG1-CD1 4.28Å; V135-I137 HydrophobicContact CG1-CG1 4.04Å; V135-D204 PolarHBondContact N-O 3.22Å; V135-V205 HydrophobicContact CB-CG2 4.31Å; V135-V205 CarbonylContact O-C 2.91Å; V135-V205 VanDerWaalsContact O-CA 3.27Å; V135-V205 WeakPolarHBondContact O-CA 3.49Å; V135-V205 WeakPolarHBondContact O-CG1 3.48Å; V135-L206 PolarHBondContact O-N 3.1Å
136	T	89.6	Confident	76.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130	169.7	58	0	0	0	0	110	R117 I134 L206 M208 I216 S217 C220	R117-T136 VanDerWaalsContact CB-OG1 3.29Å; R117-T136 WeakPolarHBondContact CB-OG1 3.44Å; R117-T136 PolarHBondContact N-O 3.44Å; R117-T136 PolarHBondContact O-N 3.29Å; R117-T136 PolarHBondContact O-OG1 3.49Å; I134-T136 HydrophobicContact CG2-CG2 4.27Å; T136-L206 HydrophobicContact CG2-CB 4.26Å; T136-L206 HydrophobicContact CG2-CD1 4.14Å; T136-M208 HydrophobicContact CG2-CE 3.89Å; T136-I216 HydrophobicContact CG2-CG2 4.3Å; T136-S217 WeakPolarHBondContact OG1-CB 3.39Å; T136-C220 HydrophobicContact CG2-CB 4.23Å
137	I	89.1	Confident	74.1	Confident	22 Å²	22	54.9 Å²	54.9	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	96.4	177.4	-62.5	176.1	0	0	0	107	A114 V116 V135 H150 V205 L206 V207 M208	A114-I137 HydrophobicContact CB-CG2 4.34Å; V116-I137 HydrophobicContact CG1-CG1 4.26Å; V116-I137 HydrophobicContact CG2-CG1 4.29Å; V135-I137 HydrophobicContact CG1-CD1 4.28Å; V135-I137 HydrophobicContact CG1-CG1 4.04Å; I137-H150 WeakPolarHBondContact CD1-O 3.35Å; I137-V205 HydrophobicContact CD1-CG1 4Å; I137-V205 HydrophobicContact CG1-CG1 4.44Å; I137-L206 PolarHBondContact N-O 3.41Å; I137-V207 HydrophobicContact CB-CG1 4.21Å; I137-V207 HydrophobicContact CB-CG2 4.28Å; I137-V207 HydrophobicContact CG2-CG1 4.13Å; I137-V207 WeakPolarHBondContact O-CA 3.49Å; I137-M208 PolarHBondContact O-N 3.12Å
138	R	88.2	Confident	71.4	Confident	20 Å²	20	53.9 Å²	53.9	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145.5	-179.8	157.5	179.3	-172.9	178.3	20.1	109.7	A114 N115 N210 D214	A114-R138 CarbonylContact C-O 3.57Å; A114-R138 WeakPolarHBondContact CA-O 3.46Å; N115-R138 HydrophobicContact CB-CB 4.12Å; N115-R138 HydrophobicContact CB-CG 4.11Å; N115-R138 PolarHBondContact N-O 3.08Å; N115-R138 PolarHBondContact O-N 2.75Å; R138-N210 PolarHBondContact NE-ND2 2.84Å; R138-N210 PolarHBondContact NE-O 2.91Å; R138-N210 VanDerWaalsContact NH2-CG 3.34Å; R138-N210 PolarHBondContact NH2-ND2 3.33Å; R138-N210 PolarHBondContact NH2-OD1 3.03Å; R138-D214 IonicContact CZ-OD1 3.82Å; R138-D214 IonicContact CZ-OD2 3.8Å; R138-D214 IonicContact NH1-OD1 3.64Å; R138-D214 PolarHBondContact NH1-OD1 3.09Å; R138-D214 IonicContact NH1-OD2 2.72Å; R138-D214 PolarHBondContact NH1-OD2 3.4Å; R138-D214 IonicContact NH2-OD1 3.99Å; R138-D214 IonicContact NH2-OD2 2.69Å; R138-D214 PolarHBondContact NH2-OD2 3.27Å
139	E	80.2	Confident	68.8	Low	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	157.5	166.6	-123.6	-59.6	141	0	0	115.4	C39 F113 T141 Y145 S146 G147 I148 M208 N210	C39-E139 PolarHBondContact SG-OE1 3.33Å; C39-E139 VanDerWaalsContact SG-OE1 3.42Å; F113-E139 VanDerWaalsContact O-CD 3.28Å; E139-T141 PolarHBondContact OE1-OG1 2.88Å; E139-T141 PolarHBondContact OE2-N 3.26Å; E139-T141 PolarHBondContact OE2-OG1 2.94Å; E139-Y145 CarbonylContact C-O 3.49Å; E139-S146 VanDerWaalsContact CD-O 3.3Å; E139-S146 WeakPolarHBondContact OE2-CA 3.43Å; E139-G147 VanDerWaalsContact CD-CA 3.42Å; E139-G147 VanDerWaalsContact CG-N 3.26Å; E139-G147 WeakPolarHBondContact OE1-CA 3.2Å; E139-G147 PolarHBondContact OE1-N 3.11Å; E139-G147 PolarHBondContact OE2-N 3.44Å; E139-I148 HydrophobicContact CB-CG1 3.83Å; E139-I148 VanDerWaalsContact CD-N 3.34Å; E139-I148 HydrophobicContact CG-CB 3.82Å; E139-I148 HydrophobicContact CG-CD1 4.3Å; E139-I148 HydrophobicContact CG-CG1 3.1Å; E139-I148 HydrophobicContact CG-CG2 4.41Å; E139-I148 PolarHBondContact OE1-N 3.4Å; E139-M208 PolarHBondContact N-O 3.43Å; E139-N210 HydrophobicContact CB-CB 4.09Å; E139-N210 VanDerWaalsContact O-CB 3.31Å; E139-N210 WeakPolarHBondContact O-CB 3.29Å; E139-N210 PolarHBondContact O-ND2 3.2Å
140	N	77.9	Confident	66.2	Low	2 Å²	2	44.4 Å²	44.4	1%	0.011	25%	0.245	C	C	.	.			trans	-145	15.7	-172.6	-153.5	53.9	0	0	0	117.7	Y103 S107 L112 F113 Y145	Y103-N140 VanDerWaalsContact CE1-OD1 3.22Å; Y103-N140 WeakPolarHBondContact CE1-OD1 3.38Å; Y103-N140 VanDerWaalsContact CZ-OD1 3.29Å; Y103-N140 VanDerWaalsContact OH-CG 3.29Å; Y103-N140 PolarHBondContact OH-ND2 3.39Å; Y103-N140 PolarHBondContact OH-OD1 3.22Å; S107-N140 WeakPolarHBondContact CB-ND2 3.46Å; S107-N140 PolarHBondContact OG-ND2 3.01Å; L112-N140 WeakPolarHBondContact O-CB 3.13Å; L112-N140 PolarHBondContact O-ND2 3.31Å; F113-N140 WeakPolarHBondContact O-CB 3.39Å; F113-N140 PolarHBondContact O-N 3.18Å; N140-Y145 CarbonylContact C-O 3.57Å; N140-Y145 PolarHBondContact N-O 3.24Å
141	T	63.7	Low	63.4	Low	26 Å²	26	42.4 Å²	42.4	16%	0.16	23%	0.233	C	C	.	.	S	Bend	trans	-121.9	-84.9	-168.9	11.8	0	0	0	0	120.9	R108 E139 Y145 S146	R108-T141 PolarHBondContact NE-O 2.96Å; R108-T141 VanDerWaalsContact NE-O 3.15Å; R108-T141 PolarHBondContact NH2-O 2.82Å; E139-T141 PolarHBondContact OE1-OG1 2.88Å; E139-T141 PolarHBondContact OE2-N 3.26Å; E139-T141 PolarHBondContact OE2-OG1 2.94Å; T141-Y145 VanDerWaalsContact C-C 3.42Å; T141-Y145 VanDerWaalsContact C-CA 3.45Å; T141-Y145 PolarHBondContact N-O 3.43Å; T141-Y145 WeakPolarHBondContact O-CA 3.36Å; T141-S146 CarbonylContact C-O 3.55Å; T141-S146 WeakPolarHBondContact CA-O 3.24Å; T141-S146 VanDerWaalsContact CB-O 3.26Å; T141-S146 WeakPolarHBondContact CB-O 3.38Å; T141-S146 PolarHBondContact OG1-O 3.06Å; T141-S146 VanDerWaalsContact OG1-O 3.04Å
142	E	61	Low	60.7	Low	128 Å²	128	41.9 Å²	41.9	60%	0.598	22%	0.221	S	C	*	.	S	Bend	trans	-80.2	-95.5	-174.5	4.2	121	-76.1	0	0	116.9	R108 E144 Y145 S146 G147	R108-E142 PolarHBondContact NH2-O 3.41Å; E142-E144 CarbonylContact O-C 3.08Å; E142-Y145 VanDerWaalsContact C-CA 3.48Å; E142-Y145 WeakPolarHBondContact O-CA 3.4Å; E142-Y145 PolarHBondContact O-N 2.93Å; E142-S146 VanDerWaalsContact CG-O 3.23Å; E142-S146 WeakPolarHBondContact CG-O 3.16Å; E142-S146 PolarHBondContact N-O 2.87Å; E142-S146 WeakPolarHBondContact OE1-CB 3.33Å; E142-S146 PolarHBondContact OE1-OG 2.87Å; E142-G147 PolarHBondContact OE1-N 3.37Å
143	G	52.2	Low	58.3	Low	55 Å²	55	42.1 Å²	42.1	57%	0.567	22%	0.222	S	C	*	.	S	Bend	trans	33.7	-132.6	161.9	0	0	0	0	0	120.1	S146	G143-S146 WeakPolarHBondContact CA-OG 3.4Å; G143-S146 PolarHBondContact N-OG 2.97Å
144	E	44.7	Very low	55.7	Low	147 Å²	147	38.8 Å²	38.8	69%	0.687	20%	0.204	S	C	*	.	S	Bend		-60.8	-49.2	128.4	-76.7	-73.7	146.3	0	0	106.8	R108 E142	R108-E144 PolarHBondContact NH2-O 3.34Å; E142-E144 CarbonylContact O-C 3.08Å
145	Y	29.3	Very low	53.8	Low	83 Å²	83	38.8 Å²	38.8	33%	0.325	20%	0.204	S	C	.	.	S	Bend	trans	-153.4	76.1	166.1	-59.7	-90	0	0	0	112.5	R108 E139 N140 T141 E142 N210	R108-Y145 VanDerWaalsContact NH2-CD1 3.28Å; R108-Y145 VanDerWaalsContact NH2-CE1 3.3Å; E139-Y145 CarbonylContact C-O 3.49Å; N140-Y145 CarbonylContact C-O 3.57Å; N140-Y145 PolarHBondContact N-O 3.24Å; T141-Y145 VanDerWaalsContact C-C 3.42Å; T141-Y145 VanDerWaalsContact C-CA 3.45Å; T141-Y145 PolarHBondContact N-O 3.43Å; T141-Y145 WeakPolarHBondContact O-CA 3.36Å; E142-Y145 VanDerWaalsContact C-CA 3.48Å; E142-Y145 WeakPolarHBondContact O-CA 3.4Å; E142-Y145 PolarHBondContact O-N 2.93Å; Y145-N210 WeakPolarHBondContact O-CB 2.97Å
146	S	29.5	Very low	51.9	Low	25 Å²	25	36.9 Å²	36.9	18%	0.175	19%	0.193	C	C	.	.			trans	-109.6	-175.5	-173.6	69.1	0	0	0	0	120.2	E139 T141 E142 G143	E139-S146 VanDerWaalsContact CD-O 3.3Å; E139-S146 WeakPolarHBondContact OE2-CA 3.43Å; T141-S146 CarbonylContact C-O 3.55Å; T141-S146 WeakPolarHBondContact CA-O 3.24Å; T141-S146 VanDerWaalsContact CB-O 3.26Å; T141-S146 WeakPolarHBondContact CB-O 3.38Å; T141-S146 PolarHBondContact OG1-O 3.06Å; T141-S146 VanDerWaalsContact OG1-O 3.04Å; E142-S146 VanDerWaalsContact CG-O 3.23Å; E142-S146 WeakPolarHBondContact CG-O 3.16Å; E142-S146 PolarHBondContact N-O 2.87Å; E142-S146 WeakPolarHBondContact OE1-CB 3.33Å; E142-S146 PolarHBondContact OE1-OG 2.87Å; G143-S146 WeakPolarHBondContact CA-OG 3.4Å; G143-S146 PolarHBondContact N-OG 2.97Å
147	G	31.1	Very low	50	Low	32 Å²	32	39.5 Å²	39.5	33%	0.33	20%	0.204	S	C	.	.			trans	153.9	-84.3	-168.9	0	0	0	0	0	113.2	E139 E142	E139-G147 VanDerWaalsContact CD-CA 3.42Å; E139-G147 VanDerWaalsContact CG-N 3.26Å; E139-G147 WeakPolarHBondContact OE1-CA 3.2Å; E139-G147 PolarHBondContact OE1-N 3.11Å; E139-G147 PolarHBondContact OE2-N 3.44Å; E142-G147 PolarHBondContact OE1-N 3.37Å
148	I	32.3	Very low	48.3	Very low	9 Å²	9	40 Å²	40	5%	0.046	21%	0.209	C	C	.	.			trans	85.5	153.7	160.3	-31.4	157.4	0	0	0	117.9	C38 C39 E139 F168 V207 P209	C38-I148 PolarHBondContact SG-O 3.01Å; C38-I148 VanDerWaalsContact SG-O 3.33Å; C39-I148 PolarHBondContact SG-N 2.67Å; C39-I148 VanDerWaalsContact SG-N 3.4Å; E139-I148 HydrophobicContact CB-CG1 3.83Å; E139-I148 VanDerWaalsContact CD-N 3.34Å; E139-I148 HydrophobicContact CG-CB 3.82Å; E139-I148 HydrophobicContact CG-CD1 4.3Å; E139-I148 HydrophobicContact CG-CG1 3.1Å; E139-I148 HydrophobicContact CG-CG2 4.41Å; E139-I148 PolarHBondContact OE1-N 3.4Å; I148-F168 HydrophobicContact CB-CD2 3.74Å; I148-F168 HydrophobicContact CB-CE2 3.34Å; I148-F168 HydrophobicContact CB-CZ 3.95Å; I148-F168 HydrophobicContact CD1-CB 3.89Å; I148-F168 HydrophobicContact CD1-CD1 3.53Å; I148-F168 HydrophobicContact CD1-CD2 3.13Å; I148-F168 HydrophobicContact CD1-CE1 3.78Å; I148-F168 HydrophobicContact CD1-CE2 3.47Å; I148-F168 VanDerWaalsContact CD1-CE2 3.47Å; I148-F168 HydrophobicContact CD1-CG 3.19Å; I148-F168 HydrophobicContact CD1-CZ 3.78Å; I148-F168 HydrophobicContact CG1-CD2 3.93Å; I148-F168 HydrophobicContact CG1-CE2 3.9Å; I148-F168 HydrophobicContact CG1-CG 4.41Å; I148-F168 HydrophobicContact CG1-CZ 4.31Å; I148-F168 HydrophobicContact CG2-CD2 4.05Å; I148-F168 HydrophobicContact CG2-CE1 4.22Å; I148-F168 HydrophobicContact CG2-CE2 3.17Å; I148-F168 HydrophobicContact CG2-CZ 3.28Å; I148-V207 HydrophobicContact CG2-CG1 3.53Å; I148-P209 HydrophobicContact CD1-CB 4.01Å; I148-P209 HydrophobicContact CD1-CG 3.9Å
149	E	33.9	Very low	46.6	Very low	11 Å²	11	44.3 Å²	44.3	5%	0.051	23%	0.233	C	C	.	.			trans	148	170.1	172.2	-92.9	-177.7	168	0	0	107.2	C38 C39 V40 T41 A175	C38-E149 HydrophobicContact CB-CG 4.09Å; C38-E149 VanDerWaalsContact CB-OE1 3.23Å; C38-E149 WeakPolarHBondContact CB-OE1 3.46Å; C38-E149 VanDerWaalsContact CB-OE2 3.29Å; C38-E149 WeakPolarHBondContact CB-OE2 3.32Å; C39-E149 HydrophobicContact CB-CB 4.02Å; C39-E149 PolarHBondContact N-OE2 3.47Å; V40-E149 HydrophobicContact CB-CB 3.99Å; V40-E149 HydrophobicContact CG2-CB 4.38Å; V40-E149 VanDerWaalsContact CG2-O 3.31Å; V40-E149 WeakPolarHBondContact CG2-O 3.31Å; V40-E149 PolarHBondContact N-OE2 2.95Å; T41-E149 WeakPolarHBondContact CB-OE2 3.35Å; T41-E149 PolarHBondContact N-OE2 3.13Å; T41-E149 PolarHBondContact OG1-OE1 2.97Å; T41-E149 PolarHBondContact OG1-OE2 3.32Å; T41-E149 VanDerWaalsContact OG1-OE2 3.13Å; E149-A175 HydrophobicContact CG-CB 4.23Å
150	H	37.7	Very low	45.7	Very low	6 Å²	6	49.2 Å²	49.2	3%	0.028	27%	0.266	C	S	.	.			cis	-123.9	-170.4	-40.3	-63.3	141.9	0	0	0	104.2	V40 T41 I137 A175 Y179 V207	V40-H150 VanDerWaalsContact C-ND1 3.31Å; V40-H150 HydrophobicContact CB-CB 3.67Å; V40-H150 VanDerWaalsContact CB-N 3.32Å; V40-H150 WeakPolarHBondContact CB-ND1 3.45Å; V40-H150 HydrophobicContact CG1-CB 3.58Å; V40-H150 WeakPolarHBondContact CG1-ND1 3.31Å; V40-H150 HydrophobicContact CG2-CB 4.46Å; V40-H150 VanDerWaalsContact CG2-N 3.28Å; T41-H150 PolarHBondContact N-CE1 2.63Å; T41-H150 VanDerWaalsContact N-CE1 3.32Å; T41-H150 PolarHBondContact OG1-CE1 3.4Å; I137-H150 WeakPolarHBondContact CD1-O 3.35Å; H150-A175 WeakPolarHBondContact NE2-CB 3.22Å; H150-Y179 AromaticContact CE1-CE2 3.33Å; H150-Y179 WeakPolarHBondContact CE1-CE2 3.21Å; H150-Y179 AromaticContact CE1-CZ 3.89Å; H150-Y179 AromaticContact NE2-CE2 3.69Å; H150-V207 VanDerWaalsContact C-CG2 3.46Å; H150-V207 WeakPolarHBondContact O-CG2 3.41Å
151	E	31	Very low	45.2	Very low	67 Å²	67	53.1 Å²	53.1	31%	0.313	29%	0.287	S	S	.	.	S	Bend	cis	-134.4	-179.5	6.1	-61.6	176.9	-160.4	0	0	109	V40 I153 I182 V205	V40-E151 HydrophobicContact CG1-CG 4.43Å; E151-I153 VanDerWaalsContact O-CA 3.25Å; E151-I153 WeakPolarHBondContact O-CA 3.27Å; E151-I153 VanDerWaalsContact O-CG1 3.23Å; E151-I153 WeakPolarHBondContact O-CG1 3.41Å; E151-I153 PolarHBondContact O-N 2.98Å; E151-I182 HydrophobicContact CB-CD1 4.4Å; E151-V205 WeakPolarHBondContact O-CB 3.38Å; E151-V205 WeakPolarHBondContact O-CG1 3.39Å
152	R	34.8	Very low	45.3	Very low	117 Å²	117	61.8 Å²	61.8	44%	0.442	32%	0.316	S	S	.	.	S	Bend	trans	31.6	47.9	-178.9	-101.5	-138.7	-170.1	154.6	10.6	114.7	I182 D204 V205	R152-I182 VanDerWaalsContact CA-CG2 3.48Å; R152-I182 HydrophobicContact CB-CG2 3.98Å; R152-I182 HydrophobicContact CG-CG2 3.54Å; R152-D204 HydrophobicContact CB-CB 4.39Å; R152-D204 WeakPolarHBondContact CD-OD2 3.36Å; R152-D204 IonicContact CZ-OD2 2.65Å; R152-D204 IonicContact NE-OD2 2.66Å; R152-D204 IonicContact NH1-OD1 2.67Å; R152-D204 IonicContact NH1-OD2 3.77Å; R152-D204 PolarHBondContact NH1-OD2 3.49Å; R152-V205 HydrophobicContact CB-CG2 4.49Å; R152-V205 VanDerWaalsContact O-O 3.14Å
153	I	42.3	Very low	45.8	Very low	7 Å²	7	63.8 Å²	63.8	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.7	-153.5	-49.2	178.7	0	0	0	110	E151 C155 C172 F184 N185 V207	E151-I153 VanDerWaalsContact O-CA 3.25Å; E151-I153 WeakPolarHBondContact O-CA 3.27Å; E151-I153 VanDerWaalsContact O-CG1 3.23Å; E151-I153 WeakPolarHBondContact O-CG1 3.41Å; E151-I153 PolarHBondContact O-N 2.98Å; I153-C155 HydrophobicContact CG2-CB 4.08Å; I153-C172 WeakPolarHBondContact CD1-SG 3.27Å; I153-F184 HydrophobicContact CB-CD2 3.72Å; I153-F184 HydrophobicContact CB-CE2 3.76Å; I153-F184 HydrophobicContact CD1-CD2 4.24Å; I153-F184 HydrophobicContact CD1-CE2 4.19Å; I153-F184 HydrophobicContact CG1-CD2 4.24Å; I153-F184 HydrophobicContact CG1-CE2 4.43Å; I153-F184 HydrophobicContact CG2-CD2 4.42Å; I153-F184 HydrophobicContact CG2-CE2 3.96Å; I153-N185 PolarHBondContact O-N 3.37Å; I153-V207 HydrophobicContact CB-CB 4.42Å; I153-V207 HydrophobicContact CB-CG2 4.02Å; I153-V207 HydrophobicContact CD1-CB 4.39Å; I153-V207 HydrophobicContact CD1-CG2 4.12Å; I153-V207 HydrophobicContact CG1-CB 4.27Å; I153-V207 HydrophobicContact CG1-CG2 3.63Å; I153-V207 HydrophobicContact CG2-CB 3.56Å; I153-V207 HydrophobicContact CG2-CG2 3.68Å
154	L	39.2	Very low	46.7	Very low	15 Å²	15	64.3 Å²	64.3	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.1	145.6	-162.2	77.4	0	0	0	109.5	N185 A187 L192 Y203 V205 L206 V207	L154-N185 WeakPolarHBondContact CA-O 3.24Å; L154-N185 HydrophobicContact CD1-CB 3.57Å; L154-A187 HydrophobicContact CD1-CB 3.88Å; L154-A187 HydrophobicContact CD2-CB 3.49Å; L154-A187 VanDerWaalsContact CD2-CB 3.49Å; L154-A187 HydrophobicContact CG-CB 3.72Å; L154-L192 HydrophobicContact CD2-CB 4.29Å; L154-L192 HydrophobicContact CD2-CD1 3.44Å; L154-L192 VanDerWaalsContact CD2-CD1 3.44Å; L154-L192 HydrophobicContact CD2-CD2 4.03Å; L154-L192 HydrophobicContact CD2-CG 4.1Å; L154-Y203 HydrophobicContact CD2-CD1 4.29Å; L154-Y203 HydrophobicContact CD2-CE1 3.62Å; L154-V205 PolarHBondContact N-O 3.18Å; L154-L206 HydrophobicContact CB-CD2 3.65Å; L154-L206 HydrophobicContact CD2-CD2 4.15Å; L154-V207 PolarHBondContact O-N 2.76Å
155	C	51.2	Low	48.1	Very low	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.6	180	-177.7	0	0	0	0	110	I153 F168 L169 F184 N185 A187	I153-C155 HydrophobicContact CG2-CB 4.08Å; C155-F168 HydrophobicContact CB-CE1 4.44Å; C155-F168 WeakPolarHBondContact SG-CD1 3.49Å; C155-F168 WeakPolarHBondContact SG-CE1 3.31Å; C155-L169 HydrophobicContact CB-CD2 3.7Å; C155-L169 WeakPolarHBondContact SG-CD2 3.39Å; C155-F184 HydrophobicContact CB-CE2 4.2Å; C155-F184 HydrophobicContact CB-CZ 3.94Å; C155-N185 PolarHBondContact N-O 3.2Å; C155-N185 VanDerWaalsContact N-O 3.17Å; C155-A187 PolarHBondContact O-N 2.87Å; C155-A187 VanDerWaalsContact O-O 3.06Å
156	I	51.6	Low	50.1	Low	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139.9	-176.4	-64.5	-177	0	0	0	112.2	A187 L189 L192 M208 Y212 I216	I156-A187 WeakPolarHBondContact CA-O 3.47Å; I156-L189 HydrophobicContact CD1-CD1 4.08Å; I156-L189 HydrophobicContact CG2-CB 3.6Å; I156-L189 HydrophobicContact CG2-CD1 3.92Å; I156-L189 HydrophobicContact CG2-CG 4.28Å; I156-L192 HydrophobicContact CD1-CD2 3.41Å; I156-L192 VanDerWaalsContact CD1-CD2 3.41Å; I156-L192 HydrophobicContact CG1-CD2 3.74Å; I156-M208 HydrophobicContact CB-CG 4.48Å; I156-M208 HydrophobicContact CD1-CG 3.53Å; I156-M208 HydrophobicContact CD1-SD 3.35Å; I156-M208 WeakPolarHBondContact CD1-SD 3.36Å; I156-M208 HydrophobicContact CG1-CG 3.94Å; I156-M208 HydrophobicContact CG1-SD 4.35Å; I156-Y212 HydrophobicContact CB-CD2 4.16Å; I156-Y212 HydrophobicContact CG2-CD2 3.52Å; I156-Y212 HydrophobicContact CG2-CE2 4.21Å; I156-Y212 HydrophobicContact CG2-CG 3.96Å; I156-I216 HydrophobicContact CD1-CD1 4.37Å; I156-I216 HydrophobicContact CD1-CG1 3.71Å
157	K	50.1	Low	52.5	Low	56 Å²	56	59.5 Å²	59.5	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.1	174.5	177.9	176.4	170.3	-160.6	0	112.6	D165 L169 A187 Y188 L189	K157-D165 HydrophobicContact CG-CB 4.38Å; K157-L169 HydrophobicContact CB-CD1 4.13Å; K157-L169 HydrophobicContact CD-CD1 3.81Å; K157-L169 HydrophobicContact CG-CD1 4.27Å; K157-A187 PolarHBondContact N-O 3.29Å; K157-Y188 HydrophobicContact CB-CD1 4.14Å; K157-Y188 HydrophobicContact CB-CE1 4.36Å; K157-Y188 HydrophobicContact CD-CD1 4.11Å; K157-Y188 HydrophobicContact CD-CE1 3.49Å; K157-Y188 VanDerWaalsContact CD-CE1 3.49Å; K157-Y188 HydrophobicContact CG-CD1 4.03Å; K157-Y188 HydrophobicContact CG-CE1 3.88Å; K157-Y188 PolarHBondContact NZ-OH 2.89Å; K157-Y188 WeakPolarHBondContact O-CA 3.34Å; K157-L189 PolarHBondContact O-N 2.98Å
158	S	51.5	Low	54.8	Low	31 Å²	31	58.7 Å²	58.7	22%	0.217	30%	0.3	C	S	.	.			trans	-86.7	139.7	155.1	175.9	0	0	0	0	110.4	C160 D165 Y212	S158-C160 PolarHBondContact O-N 3.01Å; S158-C160 PolarHBondContact OG-N 3.24Å; S158-D165 PolarHBondContact N-OD2 3.39Å; S158-Y212 WeakPolarHBondContact CB-OH 3.32Å
159	I	53.5	Low	57	Low	112 Å²	112	58.6 Å²	58.6	57%	0.574	30%	0.3	S	S	*	.	S	Bend	trans	-60.2	-28.1	177.6	-64	173.9	0	0	0	111.3	Y188	I159-Y188 HydrophobicContact CD1-CD1 4.47Å; I159-Y188 HydrophobicContact CG1-CD1 3.64Å; I159-Y188 HydrophobicContact CG1-CE1 3.78Å
160	C	61.4	Low	59.2	Low	104 Å²	104	59 Å²	59	70%	0.703	31%	0.307	S	S	*	.	S	Bend	trans	-79.6	-44.1	-175.2	-60.1	0	0	0	0	114	S158 R162	S158-C160 PolarHBondContact O-N 3.01Å; S158-C160 PolarHBondContact OG-N 3.24Å; C160-R162 VanDerWaalsContact C-N 3.26Å; C160-R162 PolarHBondContact O-N 3.36Å
161	L	66.2	Low	61.3	Low	85 Å²	85	62.5 Å²	62.5	45%	0.445	32%	0.322	S	S	.	.			trans	-87.7	54.5	-164.4	-67.1	-172.4	0	0	0	113.5	M163 S164 D165	L161-M163 PolarHBondContact O-N 2.96Å; L161-S164 PolarHBondContact O-N 3.49Å; L161-S164 PolarHBondContact O-OG 3.2Å; L161-D165 VanDerWaalsContact CB-OD1 3.26Å; L161-D165 WeakPolarHBondContact CB-OD1 3.19Å; L161-D165 WeakPolarHBondContact O-CB 3.11Å; L161-D165 PolarHBondContact O-N 2.86Å; L161-D165 VanDerWaalsContact O-N 3.12Å
162	R	65.9	Low	63.6	Low	207 Å²	207	59.4 Å²	59.4	78%	0.781	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.6	-170.6	-64.9	-177.1	-69.1	177.7	-1.1	116.1	C160	C160-R162 VanDerWaalsContact C-N 3.26Å; C160-R162 PolarHBondContact O-N 3.36Å
163	M	72.3	Confident	65.8	Low	170 Å²	170	59.1 Å²	59.1	84%	0.837	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-49.2	-179.1	-68.7	-178	69.9	0	0	113.3	L161 L167	L161-M163 PolarHBondContact O-N 2.96Å; M163-L167 WeakPolarHBondContact O-CB 3.35Å; M163-L167 PolarHBondContact O-N 2.93Å
164	S	71.1	Confident	67.7	Low	66 Å²	66	63.1 Å²	63.1	46%	0.462	33%	0.325	S	S	.	.	H	α-helix	trans	-67.9	-52.6	178.5	48.2	0	0	0	0	111.5	L161 G166 L167 F168	L161-S164 PolarHBondContact O-N 3.49Å; L161-S164 PolarHBondContact O-OG 3.2Å; S164-G166 PolarHBondContact O-N 2.89Å; S164-L167 PolarHBondContact O-N 3.44Å; S164-F168 PolarHBondContact O-N 2.8Å
165	D	73.6	Confident	69.6	Low	6 Å²	6	62.7 Å²	62.7	3%	0.032	32%	0.324	C	S	.	.	H	α-helix	trans	-69.5	-31.1	-177.9	-56.8	22.2	0	0	0	109.7	K157 S158 L161 L169 Y212	K157-D165 HydrophobicContact CG-CB 4.38Å; S158-D165 PolarHBondContact N-OD2 3.39Å; L161-D165 VanDerWaalsContact CB-OD1 3.26Å; L161-D165 WeakPolarHBondContact CB-OD1 3.19Å; L161-D165 WeakPolarHBondContact O-CB 3.11Å; L161-D165 PolarHBondContact O-N 2.86Å; L161-D165 VanDerWaalsContact O-N 3.12Å; D165-L169 VanDerWaalsContact O-CB 3.26Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 WeakPolarHBondContact O-CD1 3.48Å; D165-L169 VanDerWaalsContact O-CG 3.29Å; D165-L169 WeakPolarHBondContact O-CG 3.2Å; D165-L169 PolarHBondContact O-N 2.6Å; D165-Y212 PolarHBondContact OD2-OH 3.24Å
166	G	72.2	Confident	70.8	Confident	34 Å²	34	63.9 Å²	63.9	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-40.2	173.1	0	0	0	0	0	113.5	S164 G170	S164-G166 PolarHBondContact O-N 2.89Å; G166-G170 PolarHBondContact O-N 3Å
167	L	80	Confident	72.5	Confident	115 Å²	115	71.3 Å²	71.3	60%	0.602	37%	0.368	S	S	*	.	H	α-helix	trans	-65	-45.7	173.3	175.1	60.8	0	0	0	110.9	M163 S164 G170 K171	M163-L167 WeakPolarHBondContact O-CB 3.35Å; M163-L167 PolarHBondContact O-N 2.93Å; S164-L167 PolarHBondContact O-N 3.44Å; L167-G170 PolarHBondContact O-N 2.68Å; L167-K171 PolarHBondContact O-N 3.08Å
168	F	79.2	Confident	74.2	Confident	14 Å²	14	75.4 Å²	75.4	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-61.5	-50.6	176.4	171.1	-136.1	0	0	0	111.7	I148 C155 S164 G170 K171 C172 P209	I148-F168 HydrophobicContact CB-CD2 3.74Å; I148-F168 HydrophobicContact CB-CE2 3.34Å; I148-F168 HydrophobicContact CB-CZ 3.95Å; I148-F168 HydrophobicContact CD1-CB 3.89Å; I148-F168 HydrophobicContact CD1-CD1 3.53Å; I148-F168 HydrophobicContact CD1-CD2 3.13Å; I148-F168 HydrophobicContact CD1-CE1 3.78Å; I148-F168 HydrophobicContact CD1-CE2 3.47Å; I148-F168 VanDerWaalsContact CD1-CE2 3.47Å; I148-F168 HydrophobicContact CD1-CG 3.19Å; I148-F168 HydrophobicContact CD1-CZ 3.78Å; I148-F168 HydrophobicContact CG1-CD2 3.93Å; I148-F168 HydrophobicContact CG1-CE2 3.9Å; I148-F168 HydrophobicContact CG1-CG 4.41Å; I148-F168 HydrophobicContact CG1-CZ 4.31Å; I148-F168 HydrophobicContact CG2-CD2 4.05Å; I148-F168 HydrophobicContact CG2-CE1 4.22Å; I148-F168 HydrophobicContact CG2-CE2 3.17Å; I148-F168 HydrophobicContact CG2-CZ 3.28Å; C155-F168 HydrophobicContact CB-CE1 4.44Å; C155-F168 WeakPolarHBondContact SG-CD1 3.49Å; C155-F168 WeakPolarHBondContact SG-CE1 3.31Å; S164-F168 PolarHBondContact O-N 2.8Å; F168-G170 PolarHBondContact O-N 2.96Å; F168-K171 PolarHBondContact O-N 3.22Å; F168-C172 HydrophobicContact CE2-CB 4.06Å; F168-C172 WeakPolarHBondContact CE2-SG 3.39Å; F168-C172 HydrophobicContact CZ-CB 4.42Å; F168-C172 WeakPolarHBondContact CZ-SG 3.38Å; F168-C172 PolarHBondContact O-N 3.1Å; F168-P209 HydrophobicContact CD1-CG 3.58Å; F168-P209 HydrophobicContact CE1-CG 4.04Å; F168-P209 HydrophobicContact CG-CG 4.38Å
169	L	77.7	Confident	75.7	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.037	39%	0.387	C	S	.	.	H	α-helix	trans	-54.1	-39.7	174.7	-83.7	164.3	0	0	0	112.2	C155 K157 D165 C172 R173 E186	C155-L169 HydrophobicContact CB-CD2 3.7Å; C155-L169 WeakPolarHBondContact SG-CD2 3.39Å; K157-L169 HydrophobicContact CB-CD1 4.13Å; K157-L169 HydrophobicContact CD-CD1 3.81Å; K157-L169 HydrophobicContact CG-CD1 4.27Å; D165-L169 VanDerWaalsContact O-CB 3.26Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 WeakPolarHBondContact O-CD1 3.48Å; D165-L169 VanDerWaalsContact O-CG 3.29Å; D165-L169 WeakPolarHBondContact O-CG 3.2Å; D165-L169 PolarHBondContact O-N 2.6Å; L169-C172 PolarHBondContact O-N 2.74Å; L169-R173 VanDerWaalsContact O-CG 3.27Å; L169-R173 WeakPolarHBondContact O-CG 3.48Å; L169-R173 PolarHBondContact O-N 2.89Å; L169-E186 HydrophobicContact CD2-CB 4.35Å; L169-E186 HydrophobicContact CD2-CG 3.68Å
170	G	80.3	Confident	77.1	Confident	20 Å²	20	76.3 Å²	76.3	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-57.1	-52.6	173	0	0	0	0	0	112.1	G166 L167 F168 C172 R173 E174	G166-G170 PolarHBondContact O-N 3Å; L167-G170 PolarHBondContact O-N 2.68Å; F168-G170 PolarHBondContact O-N 2.96Å; G170-C172 PolarHBondContact O-N 3.44Å; G170-R173 PolarHBondContact O-N 3.34Å; G170-R173 VanDerWaalsContact O-N 3.15Å; G170-E174 WeakPolarHBondContact O-CG 3.4Å; G170-E174 PolarHBondContact O-N 3.05Å
171	K	82.6	Confident	78.3	Confident	80 Å²	80	78 Å²	78	35%	0.348	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-37.9	178.4	-68.7	-76.3	163.9	-103.6	0	112.7	L167 F168 R173 E174 A175	L167-K171 PolarHBondContact O-N 3.08Å; F168-K171 PolarHBondContact O-N 3.22Å; K171-R173 VanDerWaalsContact C-N 3.3Å; K171-R173 PolarHBondContact O-N 2.91Å; K171-E174 IonicContact NZ-OE1 3.42Å; K171-E174 PolarHBondContact NZ-OE1 3.33Å; K171-E174 IonicContact NZ-OE2 3.17Å; K171-E174 PolarHBondContact NZ-OE2 2.97Å; K171-E174 PolarHBondContact O-N 3.44Å; K171-A175 VanDerWaalsContact O-CB 3.23Å; K171-A175 WeakPolarHBondContact O-CB 3.41Å; K171-A175 PolarHBondContact O-N 2.81Å
172	C	79	Confident	78.9	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-32.6	174	-113.3	0	0	0	0	113.4	I153 F168 L169 G170 A176 F184	I153-C172 WeakPolarHBondContact CD1-SG 3.27Å; F168-C172 HydrophobicContact CE2-CB 4.06Å; F168-C172 WeakPolarHBondContact CE2-SG 3.39Å; F168-C172 HydrophobicContact CZ-CB 4.42Å; F168-C172 WeakPolarHBondContact CZ-SG 3.38Å; F168-C172 PolarHBondContact O-N 3.1Å; L169-C172 PolarHBondContact O-N 2.74Å; G170-C172 PolarHBondContact O-N 3.44Å; C172-A176 WeakPolarHBondContact O-CB 3.35Å; C172-A176 PolarHBondContact O-N 2.71Å; C172-F184 HydrophobicContact CB-CE2 3.7Å; C172-F184 HydrophobicContact CB-CZ 3.81Å
173	R	79.9	Confident	79.7	Confident	111 Å²	111	72.2 Å²	72.2	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-74.7	-47.9	173.5	-69	165.5	-174.1	157.5	3.4	111.9	L169 G170 K171 A175 A176 E177 F184 E186	L169-R173 VanDerWaalsContact O-CG 3.27Å; L169-R173 WeakPolarHBondContact O-CG 3.48Å; L169-R173 PolarHBondContact O-N 2.89Å; G170-R173 PolarHBondContact O-N 3.34Å; G170-R173 VanDerWaalsContact O-N 3.15Å; K171-R173 VanDerWaalsContact C-N 3.3Å; K171-R173 PolarHBondContact O-N 2.91Å; R173-A175 PolarHBondContact O-N 2.98Å; R173-A176 PolarHBondContact O-N 2.91Å; R173-E177 PolarHBondContact O-N 3.23Å; R173-F184 HydrophobicContact CG-CE1 3.98Å; R173-F184 HydrophobicContact CG-CZ 4.42Å; R173-E186 IonicContact CZ-OE1 2.71Å; R173-E186 IonicContact CZ-OE2 3.67Å; R173-E186 IonicContact NE-OE1 2.81Å; R173-E186 PolarHBondContact NE-OE1 3.45Å; R173-E186 IonicContact NH2-OE1 3.84Å; R173-E186 PolarHBondContact NH2-OE1 3.05Å; R173-E186 IonicContact NH2-OE2 2.79Å; R173-E186 PolarHBondContact NH2-OE2 2.9Å
174	E	83.9	Confident	80.1	Confident	92 Å²	92	66.3 Å²	66.3	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-53.8	-41.7	173.9	-70.4	168.3	-129	0	0	111.1	G170 K171 H178	G170-E174 WeakPolarHBondContact O-CG 3.4Å; G170-E174 PolarHBondContact O-N 3.05Å; K171-E174 IonicContact NZ-OE1 3.42Å; K171-E174 PolarHBondContact NZ-OE1 3.33Å; K171-E174 IonicContact NZ-OE2 3.17Å; K171-E174 PolarHBondContact NZ-OE2 2.97Å; K171-E174 PolarHBondContact O-N 3.44Å; E174-H178 PolarHBondContact O-CE1 2.96Å; E174-H178 PolarHBondContact O-ND1 3.36Å
175	A	78.1	Confident	80.6	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-51.2	171.7	0	0	0	0	0	112.5	E149 H150 K171 R173 E177 H178 Y179	E149-A175 HydrophobicContact CG-CB 4.23Å; H150-A175 WeakPolarHBondContact NE2-CB 3.22Å; K171-A175 VanDerWaalsContact O-CB 3.23Å; K171-A175 WeakPolarHBondContact O-CB 3.41Å; K171-A175 PolarHBondContact O-N 2.81Å; R173-A175 PolarHBondContact O-N 2.98Å; A175-E177 PolarHBondContact O-N 2.89Å; A175-H178 WeakPolarHBondContact O-CB 3.27Å; A175-H178 PolarHBondContact O-N 3.1Å; A175-Y179 WeakPolarHBondContact O-CD2 3.13Å
176	A	77.7	Confident	81	Confident	26 Å²	26	69.7 Å²	69.7	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-29.8	-178.7	0	0	0	0	0	113.9	C172 R173 H178 Y179 F184	C172-A176 WeakPolarHBondContact O-CB 3.35Å; C172-A176 PolarHBondContact O-N 2.71Å; R173-A176 PolarHBondContact O-N 2.91Å; A176-H178 PolarHBondContact O-N 2.99Å; A176-Y179 CarbonylContact O-C 3.56Å; A176-Y179 PolarHBondContact O-N 3.37Å; A176-Y179 VanDerWaalsContact O-N 3.13Å; A176-F184 HydrophobicContact CB-CB 3.7Å; A176-F184 HydrophobicContact CB-CD1 4.44Å; A176-F184 HydrophobicContact CB-CD2 3.97Å; A176-F184 HydrophobicContact CB-CG 3.79Å
177	E	85.7	Confident	81.3	Confident	155 Å²	155	68.9 Å²	68.9	72%	0.724	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.6	173.7	-72.5	174.7	-165.8	0	0	113.4	R173 A175	R173-E177 PolarHBondContact O-N 3.23Å; A175-E177 PolarHBondContact O-N 2.89Å
178	H	86	Confident	81.4	Confident	142 Å²	142	67.9 Å²	67.9	66%	0.657	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.1	178.1	-65.3	77.5	0	0	0	113.8	E174 A175 A176	E174-H178 PolarHBondContact O-CE1 2.96Å; E174-H178 PolarHBondContact O-ND1 3.36Å; A175-H178 WeakPolarHBondContact O-CB 3.27Å; A175-H178 PolarHBondContact O-N 3.1Å; A176-H178 PolarHBondContact O-N 2.99Å
179	Y	82.8	Confident	81.4	Confident	47 Å²	47	69 Å²	69	18%	0.184	34%	0.336	C	S	.	.			trans	-131.6	64.1	-175.2	-57.5	-81.5	0	0	0	111.4	I44 H150 A175 A176 E181 I182	I44-Y179 HydrophobicContact CD1-CE1 3.73Å; I44-Y179 HydrophobicContact CD1-CE2 4.46Å; I44-Y179 WeakPolarHBondContact CD1-OH 3.42Å; H150-Y179 AromaticContact CE1-CE2 3.33Å; H150-Y179 WeakPolarHBondContact CE1-CE2 3.21Å; H150-Y179 AromaticContact CE1-CZ 3.89Å; H150-Y179 AromaticContact NE2-CE2 3.69Å; A175-Y179 WeakPolarHBondContact O-CD2 3.13Å; A176-Y179 CarbonylContact O-C 3.56Å; A176-Y179 PolarHBondContact O-N 3.37Å; A176-Y179 VanDerWaalsContact O-N 3.13Å; Y179-E181 VanDerWaalsContact C-OE2 3.3Å; Y179-E181 PolarHBondContact O-N 2.86Å; Y179-E181 VanDerWaalsContact O-N 3.1Å; Y179-I182 HydrophobicContact CD1-CD1 4.38Å; Y179-I182 HydrophobicContact CG-CD1 4.28Å; Y179-I182 VanDerWaalsContact O-CB 3.31Å; Y179-I182 WeakPolarHBondContact O-CB 3.48Å; Y179-I182 PolarHBondContact O-N 3.19Å
180	P	82.9	Confident	81.6	Confident	115 Å²	115	73.2 Å²	73.2	75%	0.747	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.5	-171.9	27.4	-36.7	0	0	0	115.1
181	E	86.4	Confident	81.8	Confident	139 Å²	139	75.1 Å²	75.1	65%	0.65	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.7	171	72.6	-78.3	-167.3	0	0	113.6	Y179	Y179-E181 VanDerWaalsContact C-OE2 3.3Å; Y179-E181 PolarHBondContact O-N 2.86Å; Y179-E181 VanDerWaalsContact O-N 3.1Å
182	I	79.1	Confident	82	Confident	33 Å²	33	71.3 Å²	71.3	17%	0.169	35%	0.349	C	S	.	.	S	Bend	trans	-104.4	102.3	-174.3	-57.8	-167	0	0	0	109.5	E151 R152 Y179 F184	E151-I182 HydrophobicContact CB-CD1 4.4Å; R152-I182 VanDerWaalsContact CA-CG2 3.48Å; R152-I182 HydrophobicContact CB-CG2 3.98Å; R152-I182 HydrophobicContact CG-CG2 3.54Å; Y179-I182 HydrophobicContact CD1-CD1 4.38Å; Y179-I182 HydrophobicContact CG-CD1 4.28Å; Y179-I182 VanDerWaalsContact O-CB 3.31Å; Y179-I182 WeakPolarHBondContact O-CB 3.48Å; Y179-I182 PolarHBondContact O-N 3.19Å; I182-F184 PolarHBondContact O-N 3.12Å
183	K	83.4	Confident	82.5	Confident	139 Å²	139	73 Å²	73	60%	0.604	36%	0.361	S	S	*	.			trans	-61.8	103.7	177.7	-169.1	-162.9	-178.3	-143.1	0	111.6	N185	K183-N185 WeakPolarHBondContact CE-OD1 3.01Å; K183-N185 PolarHBondContact NZ-OD1 3.33Å; K183-N185 PolarHBondContact O-ND2 3.31Å
184	F	80.2	Confident	83	Confident	46 Å²	46	72.3 Å²	72.3	20%	0.202	37%	0.365	C	S	.	.			trans	-78.3	144.7	169.6	-178.8	-99.4	0	0	0	111.8	I153 C155 C172 R173 A176 I182 E186	I153-F184 HydrophobicContact CB-CD2 3.72Å; I153-F184 HydrophobicContact CB-CE2 3.76Å; I153-F184 HydrophobicContact CD1-CD2 4.24Å; I153-F184 HydrophobicContact CD1-CE2 4.19Å; I153-F184 HydrophobicContact CG1-CD2 4.24Å; I153-F184 HydrophobicContact CG1-CE2 4.43Å; I153-F184 HydrophobicContact CG2-CD2 4.42Å; I153-F184 HydrophobicContact CG2-CE2 3.96Å; C155-F184 HydrophobicContact CB-CE2 4.2Å; C155-F184 HydrophobicContact CB-CZ 3.94Å; C172-F184 HydrophobicContact CB-CE2 3.7Å; C172-F184 HydrophobicContact CB-CZ 3.81Å; R173-F184 HydrophobicContact CG-CE1 3.98Å; R173-F184 HydrophobicContact CG-CZ 4.42Å; A176-F184 HydrophobicContact CB-CB 3.7Å; A176-F184 HydrophobicContact CB-CD1 4.44Å; A176-F184 HydrophobicContact CB-CD2 3.97Å; A176-F184 HydrophobicContact CB-CG 3.79Å; I182-F184 PolarHBondContact O-N 3.12Å; F184-E186 HydrophobicContact CE1-CG 3.59Å; F184-E186 HydrophobicContact CZ-CG 3.97Å
185	N	81	Confident	83.4	Confident	56 Å²	56	69.9 Å²	69.9	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164	175.6	-51.1	-96.8	0	0	0	110.3	I153 L154 C155 K183	I153-N185 PolarHBondContact O-N 3.37Å; L154-N185 WeakPolarHBondContact CA-O 3.24Å; L154-N185 HydrophobicContact CD1-CB 3.57Å; C155-N185 PolarHBondContact N-O 3.2Å; C155-N185 VanDerWaalsContact N-O 3.17Å; K183-N185 WeakPolarHBondContact CE-OD1 3.01Å; K183-N185 PolarHBondContact NZ-OD1 3.33Å; K183-N185 PolarHBondContact O-ND2 3.31Å
186	E	82.7	Confident	84	Confident	86 Å²	86	69.7 Å²	69.7	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.2	177.8	-62.6	176.8	-155.3	0	0	110.8	L169 R173 F184	L169-E186 HydrophobicContact CD2-CB 4.35Å; L169-E186 HydrophobicContact CD2-CG 3.68Å; R173-E186 IonicContact CZ-OE1 2.71Å; R173-E186 IonicContact CZ-OE2 3.67Å; R173-E186 IonicContact NE-OE1 2.81Å; R173-E186 PolarHBondContact NE-OE1 3.45Å; R173-E186 IonicContact NH2-OE1 3.84Å; R173-E186 PolarHBondContact NH2-OE1 3.05Å; R173-E186 IonicContact NH2-OE2 2.79Å; R173-E186 PolarHBondContact NH2-OE2 2.9Å; F184-E186 HydrophobicContact CE1-CG 3.59Å; F184-E186 HydrophobicContact CZ-CG 3.97Å
187	A	79.6	Confident	84.6	Confident	17 Å²	17	72 Å²	72	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.1	171.5	0	0	0	0	0	112.9	L154 C155 I156 K157 L192	L154-A187 HydrophobicContact CD1-CB 3.88Å; L154-A187 HydrophobicContact CD2-CB 3.49Å; L154-A187 VanDerWaalsContact CD2-CB 3.49Å; L154-A187 HydrophobicContact CG-CB 3.72Å; C155-A187 PolarHBondContact O-N 2.87Å; C155-A187 VanDerWaalsContact O-O 3.06Å; I156-A187 WeakPolarHBondContact CA-O 3.47Å; K157-A187 PolarHBondContact N-O 3.29Å; A187-L192 HydrophobicContact CB-CB 4.45Å
188	Y	80.4	Confident	85	Confident	95 Å²	95	71 Å²	71	37%	0.373	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148.4	164.7	-64.3	-83.6	0	0	0	109.9	K157 I159 D190 T191 L192	K157-Y188 HydrophobicContact CB-CD1 4.14Å; K157-Y188 HydrophobicContact CB-CE1 4.36Å; K157-Y188 HydrophobicContact CD-CD1 4.11Å; K157-Y188 HydrophobicContact CD-CE1 3.49Å; K157-Y188 VanDerWaalsContact CD-CE1 3.49Å; K157-Y188 HydrophobicContact CG-CD1 4.03Å; K157-Y188 HydrophobicContact CG-CE1 3.88Å; K157-Y188 PolarHBondContact NZ-OH 2.89Å; K157-Y188 WeakPolarHBondContact O-CA 3.34Å; I159-Y188 HydrophobicContact CD1-CD1 4.47Å; I159-Y188 HydrophobicContact CG1-CD1 3.64Å; I159-Y188 HydrophobicContact CG1-CE1 3.78Å; Y188-D190 VanDerWaalsContact C-N 3.31Å; Y188-D190 WeakPolarHBondContact CB-OD1 3.48Å; Y188-D190 PolarHBondContact O-N 3.45Å; Y188-T191 PolarHBondContact O-N 2.82Å; Y188-L192 PolarHBondContact O-N 2.66Å
189	L	80.4	Confident	85.3	Confident	38 Å²	38	67.8 Å²	67.8	20%	0.199	35%	0.347	C	S	.	.	H	α-helix	trans	-55.9	-45.2	-176.7	177	59.2	0	0	0	112.4	I156 K157 T191 L192 C193 Y212 I216	I156-L189 HydrophobicContact CD1-CD1 4.08Å; I156-L189 HydrophobicContact CG2-CB 3.6Å; I156-L189 HydrophobicContact CG2-CD1 3.92Å; I156-L189 HydrophobicContact CG2-CG 4.28Å; K157-L189 PolarHBondContact O-N 2.98Å; L189-T191 PolarHBondContact O-N 3.32Å; L189-L192 PolarHBondContact O-N 3.31Å; L189-C193 PolarHBondContact O-N 3.39Å; L189-C193 PolarHBondContact O-SG 2.76Å; L189-Y212 HydrophobicContact CD2-CD1 3.78Å; L189-Y212 HydrophobicContact CD2-CE1 4.04Å; L189-Y212 HydrophobicContact CD2-CG 4.34Å; L189-I216 HydrophobicContact CD1-CD1 3.87Å; L189-I216 HydrophobicContact CD1-CG1 3.95Å
190	D	81.4	Confident	85.7	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	34%	0.34	S	S	.	.	H	α-helix	trans	-57.1	-46.6	177.7	45	30.1	0	0	0	112.6	Y188 C193 L194	Y188-D190 VanDerWaalsContact C-N 3.31Å; Y188-D190 WeakPolarHBondContact CB-OD1 3.48Å; Y188-D190 PolarHBondContact O-N 3.45Å; D190-C193 PolarHBondContact O-N 2.65Å; D190-L194 WeakPolarHBondContact O-CB 3.5Å; D190-L194 PolarHBondContact O-N 2.9Å
191	T	85.2	Confident	86.1	Confident	60 Å²	60	64.2 Å²	64.2	37%	0.368	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-39.1	-177.5	-52.8	0	0	0	0	110.5	Y188 L189 N195	Y188-T191 PolarHBondContact O-N 2.82Å; L189-T191 PolarHBondContact O-N 3.32Å; T191-N195 WeakPolarHBondContact O-CB 3.46Å; T191-N195 PolarHBondContact O-N 2.8Å; T191-N195 PolarHBondContact O-OD1 3.33Å
192	L	87.3	Confident	86.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-47	173.2	178.3	58.5	0	0	0	112	L154 I156 A187 Y188 L189 L194 N195 L196 Y203 L206 I216	L154-L192 HydrophobicContact CD2-CB 4.29Å; L154-L192 HydrophobicContact CD2-CD1 3.44Å; L154-L192 VanDerWaalsContact CD2-CD1 3.44Å; L154-L192 HydrophobicContact CD2-CD2 4.03Å; L154-L192 HydrophobicContact CD2-CG 4.1Å; I156-L192 HydrophobicContact CD1-CD2 3.41Å; I156-L192 VanDerWaalsContact CD1-CD2 3.41Å; I156-L192 HydrophobicContact CG1-CD2 3.74Å; A187-L192 HydrophobicContact CB-CB 4.45Å; Y188-L192 PolarHBondContact O-N 2.66Å; L189-L192 PolarHBondContact O-N 3.31Å; L192-L194 PolarHBondContact O-N 2.66Å; L192-N195 PolarHBondContact O-N 3.29Å; L192-L196 HydrophobicContact CD1-CD1 3.69Å; L192-L196 HydrophobicContact CD1-CD2 4.44Å; L192-L196 HydrophobicContact CD1-CG 3.65Å; L192-L196 HydrophobicContact CD2-CD1 4.16Å; L192-L196 HydrophobicContact CG-CD1 3.64Å; L192-L196 HydrophobicContact CG-CG 4.13Å; L192-L196 WeakPolarHBondContact O-CB 3.02Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.69Å; L192-Y203 HydrophobicContact CD1-CD1 4.48Å; L192-Y203 HydrophobicContact CD1-CD2 4.39Å; L192-Y203 HydrophobicContact CD1-CE1 3.92Å; L192-Y203 HydrophobicContact CD1-CE2 3.78Å; L192-L206 HydrophobicContact CD1-CD2 4.25Å; L192-L206 HydrophobicContact CD2-CD1 4.31Å; L192-L206 HydrophobicContact CD2-CD2 4.25Å; L192-I216 HydrophobicContact CD2-CD1 4.13Å; L192-I216 HydrophobicContact CD2-CG1 4.45Å; L192-I216 HydrophobicContact CD2-CG2 4.36Å; L192-I216 HydrophobicContact CG-CD1 4.4Å
193	C	89	Confident	86.7	Confident	36 Å²	36	62 Å²	62	24%	0.243	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-42.4	176.8	-73.1	0	0	0	0	111.6	L189 D190 V197 I216 L219	L189-C193 PolarHBondContact O-N 3.39Å; L189-C193 PolarHBondContact O-SG 2.76Å; D190-C193 PolarHBondContact O-N 2.65Å; C193-V197 WeakPolarHBondContact O-CG2 3.39Å; C193-V197 PolarHBondContact O-N 3.44Å; C193-I216 VanDerWaalsContact SG-CD1 3.5Å; C193-L219 HydrophobicContact CB-CD1 4.46Å
194	L	90.8	Very high	86.9	Confident	96 Å²	96	59.3 Å²	59.3	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-50.3	175.5	-177.4	63.2	0	0	0	111.7	D190 L192 V197 Q198	D190-L194 WeakPolarHBondContact O-CB 3.5Å; D190-L194 PolarHBondContact O-N 2.9Å; L192-L194 PolarHBondContact O-N 2.66Å; L194-V197 PolarHBondContact O-N 3.33Å; L194-Q198 WeakPolarHBondContact O-CG 3.45Å; L194-Q198 PolarHBondContact O-N 3.26Å; L194-Q198 VanDerWaalsContact O-N 3.13Å
195	N	90.7	Very high	87.3	Confident	42 Å²	42	58.2 Å²	58.2	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-38.8	-176	-71.9	12.2	0	0	0	112.8	T191 L192 V197 Q198 D199 Y203	T191-N195 WeakPolarHBondContact O-CB 3.46Å; T191-N195 PolarHBondContact O-N 2.8Å; T191-N195 PolarHBondContact O-OD1 3.33Å; L192-N195 PolarHBondContact O-N 3.29Å; N195-V197 VanDerWaalsContact C-N 3.26Å; N195-V197 PolarHBondContact O-N 3.26Å; N195-Q198 PolarHBondContact O-N 3.4Å; N195-Q198 VanDerWaalsContact O-N 3.16Å; N195-D199 CarbonylContact O-C 3.4Å; N195-D199 PolarHBondContact O-N 3.42Å; N195-Y203 HydrophobicContact CB-CE2 4.08Å; N195-Y203 WeakPolarHBondContact CB-OH 3.25Å; N195-Y203 PolarHBondContact ND2-OH 3.48Å
196	L	90.4	Very high	87.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-34.2	175.6	-81.6	168	0	0	0	112.9	I134 L192 P200 Y203 L206 I216 L219	I134-L196 HydrophobicContact CD1-CD2 3.46Å; I134-L196 VanDerWaalsContact CD1-CD2 3.46Å; L192-L196 HydrophobicContact CD1-CD1 3.69Å; L192-L196 HydrophobicContact CD1-CD2 4.44Å; L192-L196 HydrophobicContact CD1-CG 3.65Å; L192-L196 HydrophobicContact CD2-CD1 4.16Å; L192-L196 HydrophobicContact CG-CD1 3.64Å; L192-L196 HydrophobicContact CG-CG 4.13Å; L192-L196 WeakPolarHBondContact O-CB 3.02Å; L192-L196 WeakPolarHBondContact O-CG 3.46Å; L192-L196 PolarHBondContact O-N 2.69Å; L196-P200 HydrophobicContact CD2-CB 4.42Å; L196-P200 WeakPolarHBondContact O-CB 3.49Å; L196-P200 WeakPolarHBondContact O-CD 3.37Å; L196-Y203 HydrophobicContact CD2-CD2 3.53Å; L196-Y203 HydrophobicContact CD2-CE2 3.99Å; L196-Y203 HydrophobicContact CD2-CG 4.33Å; L196-Y203 HydrophobicContact CG-CD2 4.13Å; L196-Y203 HydrophobicContact CG-CE2 4.08Å; L196-L206 HydrophobicContact CD1-CD1 4.05Å; L196-L206 HydrophobicContact CD2-CD1 4.22Å; L196-I216 HydrophobicContact CD1-CD1 4.23Å; L196-I216 HydrophobicContact CD1-CG2 4.02Å; L196-L219 HydrophobicContact CB-CD2 3.91Å; L196-L219 HydrophobicContact CD1-CD2 4.09Å
197	V	92.1	Very high	87.7	Confident	75 Å²	75	51.5 Å²	51.5	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-81.4	-21.8	178.7	173.6	0	0	0	0	111.6	Y129 C193 L194 N195 L219	Y129-V197 WeakPolarHBondContact CE1-O 3.41Å; Y129-V197 PolarHBondContact OH-O 2.92Å; C193-V197 WeakPolarHBondContact O-CG2 3.39Å; C193-V197 PolarHBondContact O-N 3.44Å; L194-V197 PolarHBondContact O-N 3.33Å; N195-V197 VanDerWaalsContact C-N 3.26Å; N195-V197 PolarHBondContact O-N 3.26Å; V197-L219 HydrophobicContact CG2-CD2 4.48Å
198	Q	92.7	Very high	87.9	Confident	135 Å²	135	50.7 Å²	50.7	63%	0.631	27%	0.266	S	S	*	.	H	α-helix	trans	-87.7	-52	177	-73	179.8	-2.8	0	0	113.4	L194 N195	L194-Q198 WeakPolarHBondContact O-CG 3.45Å; L194-Q198 PolarHBondContact O-N 3.26Å; L194-Q198 VanDerWaalsContact O-N 3.13Å; N195-Q198 PolarHBondContact O-N 3.4Å; N195-Q198 VanDerWaalsContact O-N 3.16Å
199	D	92.2	Very high	88	Confident	74 Å²	74	47 Å²	47	40%	0.396	25%	0.254	S	S	.	.			trans	-148.1	94.3	177.1	178.1	8.9	0	0	0	109.6	N195 V201 Q202	N195-D199 CarbonylContact O-C 3.4Å; N195-D199 PolarHBondContact O-N 3.42Å; D199-V201 VanDerWaalsContact C-N 3.27Å; D199-V201 PolarHBondContact O-N 2.97Å; D199-V201 WeakPolarHBondContact OD1-CB 3.46Å; D199-V201 PolarHBondContact OD1-N 3.18Å; D199-Q202 WeakPolarHBondContact O-CG 3.49Å; D199-Q202 PolarHBondContact O-NE2 2.84Å
200	P	92.1	Very high	88.1	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.032	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-73.9	-14.8	176.2	28.5	-33.8	0	0	0	114	Y129 V132 I134 L196 Q202 Y203 L223	Y129-P200 HydrophobicContact CD1-CG 3.65Å; Y129-P200 HydrophobicContact CE1-CG 4.24Å; Y129-P200 HydrophobicContact CG-CG 4.25Å; V132-P200 HydrophobicContact CG1-CB 4.35Å; V132-P200 HydrophobicContact CG2-CB 4.25Å; V132-P200 HydrophobicContact CG2-CG 3.81Å; I134-P200 HydrophobicContact CD1-CB 3.92Å; L196-P200 HydrophobicContact CD2-CB 4.42Å; L196-P200 WeakPolarHBondContact O-CB 3.49Å; L196-P200 WeakPolarHBondContact O-CD 3.37Å; P200-Q202 PolarHBondContact O-N 2.78Å; P200-Y203 PolarHBondContact O-N 2.89Å; P200-L223 HydrophobicContact CB-CD1 3.66Å; P200-L223 HydrophobicContact CG-CD1 4.23Å
201	V	92	Very high	88.1	Confident	82 Å²	82	45.9 Å²	45.9	50%	0.497	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-73	-15.4	-173.1	-169.7	0	0	0	0	111.7	D199 Y203	D199-V201 VanDerWaalsContact C-N 3.27Å; D199-V201 PolarHBondContact O-N 2.97Å; D199-V201 WeakPolarHBondContact OD1-CB 3.46Å; D199-V201 PolarHBondContact OD1-N 3.18Å; V201-Y203 PolarHBondContact O-N 3.44Å
202	Q	88.2	Confident	88	Confident	100 Å²	100	43.8 Å²	43.8	47%	0.467	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-72.8	-5.7	175.9	79.1	-171.7	-81.3	0	0	115.1	D199 P200	D199-Q202 WeakPolarHBondContact O-CG 3.49Å; D199-Q202 PolarHBondContact O-NE2 2.84Å; P200-Q202 PolarHBondContact O-N 2.78Å
203	Y	89.3	Confident	87.9	Confident	26 Å²	26	43.8 Å²	43.8	10%	0.102	23%	0.233	C	C	.	.			trans	-115.8	122.2	-170.9	-65.3	-63.8	0	0	0	113.1	L154 L192 N195 L196 P200 V201 L206	L154-Y203 HydrophobicContact CD2-CD1 4.29Å; L154-Y203 HydrophobicContact CD2-CE1 3.62Å; L192-Y203 HydrophobicContact CD1-CD1 4.48Å; L192-Y203 HydrophobicContact CD1-CD2 4.39Å; L192-Y203 HydrophobicContact CD1-CE1 3.92Å; L192-Y203 HydrophobicContact CD1-CE2 3.78Å; N195-Y203 HydrophobicContact CB-CE2 4.08Å; N195-Y203 WeakPolarHBondContact CB-OH 3.25Å; N195-Y203 PolarHBondContact ND2-OH 3.48Å; L196-Y203 HydrophobicContact CD2-CD2 3.53Å; L196-Y203 HydrophobicContact CD2-CE2 3.99Å; L196-Y203 HydrophobicContact CD2-CG 4.33Å; L196-Y203 HydrophobicContact CG-CD2 4.13Å; L196-Y203 HydrophobicContact CG-CE2 4.08Å; P200-Y203 PolarHBondContact O-N 2.89Å; V201-Y203 PolarHBondContact O-N 3.44Å; Y203-L206 HydrophobicContact CD1-CD2 3.95Å; Y203-L206 HydrophobicContact CG-CD2 4.21Å
204	D	87.3	Confident	87.8	Confident	81 Å²	81	45.1 Å²	45.1	43%	0.433	24%	0.237	S	C	.	.	S	Bend	trans	-83.1	-58.9	171.5	-56.3	-68.2	0	0	0	111.1	V135 R152	V135-D204 PolarHBondContact N-O 3.22Å; R152-D204 HydrophobicContact CB-CB 4.39Å; R152-D204 WeakPolarHBondContact CD-OD2 3.36Å; R152-D204 IonicContact CZ-OD2 2.65Å; R152-D204 IonicContact NE-OD2 2.66Å; R152-D204 IonicContact NH1-OD1 2.67Å; R152-D204 IonicContact NH1-OD2 3.77Å; R152-D204 PolarHBondContact NH1-OD2 3.49Å
205	V	87.8	Confident	87.8	Confident	24 Å²	24	44.8 Å²	44.8	15%	0.145	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.1	-169.9	-174.8	0	0	0	0	110.9	V135 I137 E151 R152 L154 V207	V135-V205 HydrophobicContact CB-CG2 4.31Å; V135-V205 CarbonylContact O-C 2.91Å; V135-V205 VanDerWaalsContact O-CA 3.27Å; V135-V205 WeakPolarHBondContact O-CA 3.49Å; V135-V205 WeakPolarHBondContact O-CG1 3.48Å; I137-V205 HydrophobicContact CD1-CG1 4Å; I137-V205 HydrophobicContact CG1-CG1 4.44Å; E151-V205 WeakPolarHBondContact O-CB 3.38Å; E151-V205 WeakPolarHBondContact O-CG1 3.39Å; R152-V205 HydrophobicContact CB-CG2 4.49Å; R152-V205 VanDerWaalsContact O-O 3.14Å; L154-V205 PolarHBondContact N-O 3.18Å; V205-V207 HydrophobicContact CG1-CG2 4.01Å
206	L	86.7	Confident	87.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	-178.9	-55.8	175.3	0	0	0	109.2	I134 V135 T136 I137 L154 L192 L196 Y203 M208 I216	I134-L206 HydrophobicContact CG2-CD1 3.71Å; I134-L206 HydrophobicContact CG2-CG 3.91Å; V135-L206 PolarHBondContact O-N 3.1Å; T136-L206 HydrophobicContact CG2-CB 4.26Å; T136-L206 HydrophobicContact CG2-CD1 4.14Å; I137-L206 PolarHBondContact N-O 3.41Å; L154-L206 HydrophobicContact CB-CD2 3.65Å; L154-L206 HydrophobicContact CD2-CD2 4.15Å; L192-L206 HydrophobicContact CD1-CD2 4.25Å; L192-L206 HydrophobicContact CD2-CD1 4.31Å; L192-L206 HydrophobicContact CD2-CD2 4.25Å; L196-L206 HydrophobicContact CD1-CD1 4.05Å; L196-L206 HydrophobicContact CD2-CD1 4.22Å; Y203-L206 HydrophobicContact CD1-CD2 3.95Å; Y203-L206 HydrophobicContact CG-CD2 4.21Å; L206-M208 HydrophobicContact CB-CE 3.94Å; L206-M208 HydrophobicContact CB-SD 4.42Å; L206-I216 HydrophobicContact CD1-CG2 3.83Å
207	V	86	Confident	87.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	-175.1	-160.6	0	0	0	0	110.7	I137 I148 H150 I153 L154 V205	I137-V207 HydrophobicContact CB-CG1 4.21Å; I137-V207 HydrophobicContact CB-CG2 4.28Å; I137-V207 HydrophobicContact CG2-CG1 4.13Å; I137-V207 WeakPolarHBondContact O-CA 3.49Å; I148-V207 HydrophobicContact CG2-CG1 3.53Å; H150-V207 VanDerWaalsContact C-CG2 3.46Å; H150-V207 WeakPolarHBondContact O-CG2 3.41Å; I153-V207 HydrophobicContact CB-CB 4.42Å; I153-V207 HydrophobicContact CB-CG2 4.02Å; I153-V207 HydrophobicContact CD1-CB 4.39Å; I153-V207 HydrophobicContact CD1-CG2 4.12Å; I153-V207 HydrophobicContact CG1-CB 4.27Å; I153-V207 HydrophobicContact CG1-CG2 3.63Å; I153-V207 HydrophobicContact CG2-CB 3.56Å; I153-V207 HydrophobicContact CG2-CG2 3.68Å; L154-V207 PolarHBondContact O-N 2.76Å; V205-V207 HydrophobicContact CG1-CG2 4.01Å
208	M	83.7	Confident	87.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147	-153.6	-60	171.8	-83.1	0	0	112.7	T136 I137 E139 I156 L206 I216	T136-M208 HydrophobicContact CG2-CE 3.89Å; I137-M208 PolarHBondContact O-N 3.12Å; E139-M208 PolarHBondContact N-O 3.43Å; I156-M208 HydrophobicContact CB-CG 4.48Å; I156-M208 HydrophobicContact CD1-CG 3.53Å; I156-M208 HydrophobicContact CD1-SD 3.35Å; I156-M208 WeakPolarHBondContact CD1-SD 3.36Å; I156-M208 HydrophobicContact CG1-CG 3.94Å; I156-M208 HydrophobicContact CG1-SD 4.35Å; L206-M208 HydrophobicContact CB-CE 3.94Å; L206-M208 HydrophobicContact CB-SD 4.42Å; M208-I216 HydrophobicContact CE-CB 4.09Å; M208-I216 HydrophobicContact CE-CG2 3.88Å; M208-I216 HydrophobicContact SD-CB 3.5Å; M208-I216 WeakPolarHBondContact SD-CB 3.44Å; M208-I216 HydrophobicContact SD-CG1 3.86Å; M208-I216 HydrophobicContact SD-CG2 3.59Å; M208-I216 VanDerWaalsContact SD-CG2 3.59Å
209	P	82.3	Confident	87.9	Confident	19 Å²	19	38 Å²	38	12%	0.123	20%	0.2	C	C	.	.			trans	-58.8	147.7	162.8	-15	30	0	0	0	110.1	I148 F168 L211 Y212 G213	I148-P209 HydrophobicContact CD1-CB 4.01Å; I148-P209 HydrophobicContact CD1-CG 3.9Å; F168-P209 HydrophobicContact CD1-CG 3.58Å; F168-P209 HydrophobicContact CE1-CG 4.04Å; F168-P209 HydrophobicContact CG-CG 4.38Å; P209-L211 VanDerWaalsContact C-N 3.3Å; P209-L211 PolarHBondContact O-N 3.02Å; P209-L211 VanDerWaalsContact O-N 3.09Å; P209-Y212 HydrophobicContact CG-CD2 4.07Å; P209-Y212 HydrophobicContact CG-CE2 4.42Å; P209-Y212 PolarHBondContact O-N 2.63Å; P209-G213 PolarHBondContact O-N 2.67Å
210	N	83.4	Confident	88	Confident	14 Å²	14	34.4 Å²	34.4	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-46.2	-45.9	-171.2	176.4	-75.3	0	0	0	115.7	R138 E139 Y145 Y212 G213 D214	R138-N210 PolarHBondContact NE-ND2 2.84Å; R138-N210 PolarHBondContact NE-O 2.91Å; R138-N210 VanDerWaalsContact NH2-CG 3.34Å; R138-N210 PolarHBondContact NH2-ND2 3.33Å; R138-N210 PolarHBondContact NH2-OD1 3.03Å; E139-N210 HydrophobicContact CB-CB 4.09Å; E139-N210 VanDerWaalsContact O-CB 3.31Å; E139-N210 WeakPolarHBondContact O-CB 3.29Å; E139-N210 PolarHBondContact O-ND2 3.2Å; Y145-N210 WeakPolarHBondContact O-CB 2.97Å; N210-Y212 PolarHBondContact O-N 3.2Å; N210-G213 PolarHBondContact O-N 2.78Å; N210-D214 PolarHBondContact O-N 3.4Å
211	L	80.6	Confident	88	Confident	94 Å²	94	34.2 Å²	34.2	49%	0.492	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-43.8	-179.5	178.6	62.9	0	0	0	112.5	P209 I215	P209-L211 VanDerWaalsContact C-N 3.3Å; P209-L211 PolarHBondContact O-N 3.02Å; P209-L211 VanDerWaalsContact O-N 3.09Å; L211-I215 WeakPolarHBondContact O-CD1 3.5Å; L211-I215 WeakPolarHBondContact O-CG1 3.34Å
212	Y	83.2	Confident	88.1	Confident	17 Å²	17	32.7 Å²	32.7	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-79.3	-33.6	178.9	-51.9	-28.7	0	0	0	111	I156 S158 D165 L189 P209 N210 D214 I215 I216	I156-Y212 HydrophobicContact CB-CD2 4.16Å; I156-Y212 HydrophobicContact CG2-CD2 3.52Å; I156-Y212 HydrophobicContact CG2-CE2 4.21Å; I156-Y212 HydrophobicContact CG2-CG 3.96Å; S158-Y212 WeakPolarHBondContact CB-OH 3.32Å; D165-Y212 PolarHBondContact OD2-OH 3.24Å; L189-Y212 HydrophobicContact CD2-CD1 3.78Å; L189-Y212 HydrophobicContact CD2-CE1 4.04Å; L189-Y212 HydrophobicContact CD2-CG 4.34Å; P209-Y212 HydrophobicContact CG-CD2 4.07Å; P209-Y212 HydrophobicContact CG-CE2 4.42Å; P209-Y212 PolarHBondContact O-N 2.63Å; N210-Y212 PolarHBondContact O-N 3.2Å; Y212-D214 VanDerWaalsContact C-N 3.34Å; Y212-D214 PolarHBondContact O-N 3.18Å; Y212-I215 PolarHBondContact O-N 3.41Å; Y212-I216 WeakPolarHBondContact O-CB 3.41Å; Y212-I216 WeakPolarHBondContact O-CG1 3.34Å; Y212-I216 PolarHBondContact O-N 2.84Å
213	G	86.2	Confident	88.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-37.3	174.9	0	0	0	0	0	113.6	P209 N210 S217	P209-G213 PolarHBondContact O-N 2.67Å; N210-G213 PolarHBondContact O-N 2.78Å; G213-S217 WeakPolarHBondContact O-CB 3.43Å; G213-S217 PolarHBondContact O-N 2.86Å; G213-S217 VanDerWaalsContact O-N 3.08Å; G213-S217 PolarHBondContact O-OG 2.91Å
214	D	86.9	Confident	88.4	Confident	63 Å²	63	27.2 Å²	27.2	34%	0.337	16%	0.156	S	C	.	.	H	α-helix	trans	-60.7	-58.7	173.4	-138	-3.8	0	0	0	110.3	R117 R138 N210 Y212 I216 S217 D218	R117-D214 IonicContact NH2-OD1 2.78Å; R138-D214 IonicContact CZ-OD1 3.82Å; R138-D214 IonicContact CZ-OD2 3.8Å; R138-D214 IonicContact NH1-OD1 3.64Å; R138-D214 PolarHBondContact NH1-OD1 3.09Å; R138-D214 IonicContact NH1-OD2 2.72Å; R138-D214 PolarHBondContact NH1-OD2 3.4Å; R138-D214 IonicContact NH2-OD1 3.99Å; R138-D214 IonicContact NH2-OD2 2.69Å; R138-D214 PolarHBondContact NH2-OD2 3.27Å; N210-D214 PolarHBondContact O-N 3.4Å; Y212-D214 VanDerWaalsContact C-N 3.34Å; Y212-D214 PolarHBondContact O-N 3.18Å; D214-I216 PolarHBondContact O-N 3.32Å; D214-S217 PolarHBondContact O-N 2.69Å; D214-S217 PolarHBondContact O-OG 2.93Å; D214-D218 PolarHBondContact O-N 3.34Å
215	I	89.6	Confident	88.4	Confident	89 Å²	89	24.8 Å²	24.8	46%	0.456	15%	0.151	S	C	.	.	H	α-helix	trans	-59.2	-46.2	-174.8	-61.5	167.4	0	0	0	111.7	L211 Y212 L219	L211-I215 WeakPolarHBondContact O-CD1 3.5Å; L211-I215 WeakPolarHBondContact O-CG1 3.34Å; Y212-I215 PolarHBondContact O-N 3.41Å; I215-L219 WeakPolarHBondContact O-CB 3.44Å; I215-L219 PolarHBondContact O-N 2.99Å
216	I	90.9	Very high	88.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-75.2	-35.3	-176.6	-66.9	-69.4	0	0	0	111.9	T136 I156 L189 L192 C193 L196 L206 M208 Y212 D214 L219 C220	T136-I216 HydrophobicContact CG2-CG2 4.3Å; I156-I216 HydrophobicContact CD1-CD1 4.37Å; I156-I216 HydrophobicContact CD1-CG1 3.71Å; L189-I216 HydrophobicContact CD1-CD1 3.87Å; L189-I216 HydrophobicContact CD1-CG1 3.95Å; L192-I216 HydrophobicContact CD2-CD1 4.13Å; L192-I216 HydrophobicContact CD2-CG1 4.45Å; L192-I216 HydrophobicContact CD2-CG2 4.36Å; L192-I216 HydrophobicContact CG-CD1 4.4Å; C193-I216 VanDerWaalsContact SG-CD1 3.5Å; L196-I216 HydrophobicContact CD1-CD1 4.23Å; L196-I216 HydrophobicContact CD1-CG2 4.02Å; L206-I216 HydrophobicContact CD1-CG2 3.83Å; M208-I216 HydrophobicContact CE-CB 4.09Å; M208-I216 HydrophobicContact CE-CG2 3.88Å; M208-I216 HydrophobicContact SD-CB 3.5Å; M208-I216 WeakPolarHBondContact SD-CB 3.44Å; M208-I216 HydrophobicContact SD-CG1 3.86Å; M208-I216 HydrophobicContact SD-CG2 3.59Å; M208-I216 VanDerWaalsContact SD-CG2 3.59Å; Y212-I216 WeakPolarHBondContact O-CB 3.41Å; Y212-I216 WeakPolarHBondContact O-CG1 3.34Å; Y212-I216 PolarHBondContact O-N 2.84Å; D214-I216 PolarHBondContact O-N 3.32Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 2.74Å; I216-C220 WeakPolarHBondContact O-CB 3.43Å; I216-C220 PolarHBondContact O-N 2.94Å; I216-C220 PolarHBondContact O-SG 3.46Å
217	S	91.9	Very high	88.7	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-73.1	-32.8	178	65.4	0	0	0	0	112.7	R117 T136 G213 D214 C220 A221	R117-S217 VanDerWaalsContact CD-CB 3.42Å; R117-S217 WeakPolarHBondContact CD-OG 3.49Å; R117-S217 PolarHBondContact NH1-OG 2.8Å; T136-S217 WeakPolarHBondContact OG1-CB 3.39Å; G213-S217 WeakPolarHBondContact O-CB 3.43Å; G213-S217 PolarHBondContact O-N 2.86Å; G213-S217 VanDerWaalsContact O-N 3.08Å; G213-S217 PolarHBondContact O-OG 2.91Å; D214-S217 PolarHBondContact O-N 2.69Å; D214-S217 PolarHBondContact O-OG 2.93Å; S217-C220 PolarHBondContact O-N 2.93Å; S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.03Å
218	D	93.2	Very high	88.9	Confident	64 Å²	64	27.7 Å²	27.7	34%	0.342	17%	0.173	S	C	.	.	H	α-helix	trans	-69	-33.1	168.6	-86.2	37.7	0	0	0	111.9	R117 D214 A221 G222 L227	R117-D218 IonicContact CZ-OD1 3.61Å; R117-D218 IonicContact NH1-OD1 2.68Å; R117-D218 PolarHBondContact NH1-OD1 2.69Å; D214-D218 PolarHBondContact O-N 3.34Å; D218-A221 WeakPolarHBondContact O-CB 3.27Å; D218-G222 PolarHBondContact O-N 3.34Å; D218-G222 VanDerWaalsContact O-N 3.11Å; D218-L227 HydrophobicContact CB-CD2 4.27Å
219	L	93.2	Very high	89.2	Confident	45 Å²	45	27.8 Å²	27.8	24%	0.236	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-50	170.1	-174.2	162.1	0	0	0	111.1	C193 L196 V197 I215 I216 A221 G222 L223	C193-L219 HydrophobicContact CB-CD1 4.46Å; L196-L219 HydrophobicContact CB-CD2 3.91Å; L196-L219 HydrophobicContact CD1-CD2 4.09Å; V197-L219 HydrophobicContact CG2-CD2 4.48Å; I215-L219 WeakPolarHBondContact O-CB 3.44Å; I215-L219 PolarHBondContact O-N 2.99Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 2.74Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.16Å; L219-G222 WeakPolarHBondContact O-CA 3.31Å; L219-G222 PolarHBondContact O-N 2.83Å; L219-L223 HydrophobicContact CD2-CD1 4.37Å; L219-L223 HydrophobicContact CD2-CD2 4.38Å; L219-L223 HydrophobicContact CD2-CG 4.36Å; L219-L223 PolarHBondContact O-N 2.66Å
220	C	93.5	Very high	89.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-38.1	177.8	-70.9	0	0	0	0	112.3	S119 T136 I216 S217 G222 L223	S119-C220 WeakPolarHBondContact OG-CB 3.36Å; T136-C220 HydrophobicContact CG2-CB 4.23Å; I216-C220 WeakPolarHBondContact O-CB 3.43Å; I216-C220 PolarHBondContact O-N 2.94Å; I216-C220 PolarHBondContact O-SG 3.46Å; S217-C220 PolarHBondContact O-N 2.93Å; C220-G222 VanDerWaalsContact C-N 3.31Å; C220-G222 PolarHBondContact O-N 3.08Å; C220-L223 WeakPolarHBondContact O-CB 3.39Å; C220-L223 PolarHBondContact O-N 2.81Å
221	A	93.2	Very high	90.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-44.3	170	0	0	0	0	0	111.7	S217 D218 L219 L223 I224 G225 G226 L227 T230	S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.03Å; D218-A221 WeakPolarHBondContact O-CB 3.27Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.16Å; A221-L223 VanDerWaalsContact C-N 3.25Å; A221-L223 PolarHBondContact O-N 3.31Å; A221-I224 VanDerWaalsContact O-CG1 3.27Å; A221-I224 WeakPolarHBondContact O-CG1 3.45Å; A221-I224 PolarHBondContact O-N 3.42Å; A221-I224 VanDerWaalsContact O-N 3.14Å; A221-G225 PolarHBondContact O-N 2.93Å; A221-G226 VanDerWaalsContact O-CA 3.27Å; A221-G226 WeakPolarHBondContact O-CA 3.21Å; A221-G226 PolarHBondContact O-N 2.79Å; A221-L227 HydrophobicContact CB-CD2 3.57Å; A221-T230 WeakPolarHBondContact CA-OG1 3.15Å; A221-T230 HydrophobicContact CB-CG2 3.81Å; A221-T230 WeakPolarHBondContact CB-OG1 3.45Å
222	G	92.8	Very high	90.6	Very high	51 Å²	51	22.3 Å²	22.3	53%	0.526	14%	0.144	S	C	.	.	H	α-helix	trans	-56.3	-33.9	175.8	0	0	0	0	0	114.4	D218 L219 C220 I224	D218-G222 PolarHBondContact O-N 3.34Å; D218-G222 VanDerWaalsContact O-N 3.11Å; L219-G222 WeakPolarHBondContact O-CA 3.31Å; L219-G222 PolarHBondContact O-N 2.83Å; C220-G222 VanDerWaalsContact C-N 3.31Å; C220-G222 PolarHBondContact O-N 3.08Å; G222-I224 VanDerWaalsContact C-N 3.32Å; G222-I224 PolarHBondContact O-N 2.99Å
223	L	92.4	Very high	91	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-34.2	177.8	-53.8	175.1	0	0	0	112.6	T127 Y129 V132 I134 P200 L219 C220 A221	T127-L223 PolarHBondContact OG1-O 3.4Å; Y129-L223 HydrophobicContact CD2-CB 4.1Å; Y129-L223 HydrophobicContact CD2-CD2 3.67Å; Y129-L223 HydrophobicContact CD2-CG 4.5Å; Y129-L223 HydrophobicContact CE1-CD2 4.33Å; Y129-L223 HydrophobicContact CE2-CD2 3.45Å; Y129-L223 VanDerWaalsContact CE2-CD2 3.45Å; Y129-L223 HydrophobicContact CG-CB 4.45Å; Y129-L223 HydrophobicContact CG-CD2 4.21Å; V132-L223 HydrophobicContact CG1-CD1 4.35Å; V132-L223 HydrophobicContact CG2-CB 4.33Å; I134-L223 HydrophobicContact CD1-CD1 4.29Å; P200-L223 HydrophobicContact CB-CD1 3.66Å; P200-L223 HydrophobicContact CG-CD1 4.23Å; L219-L223 HydrophobicContact CD2-CD1 4.37Å; L219-L223 HydrophobicContact CD2-CD2 4.38Å; L219-L223 HydrophobicContact CD2-CG 4.36Å; L219-L223 PolarHBondContact O-N 2.66Å; C220-L223 WeakPolarHBondContact O-CB 3.39Å; C220-L223 PolarHBondContact O-N 2.81Å; A221-L223 VanDerWaalsContact C-N 3.25Å; A221-L223 PolarHBondContact O-N 3.31Å
224	I	91.7	Very high	91	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-100.8	0.2	-170.5	67.1	148.6	0	0	0	115.1	V132 A221 G222 V229	V132-I224 HydrophobicContact CB-CG2 3.93Å; V132-I224 HydrophobicContact CG1-CG2 3.98Å; V132-I224 HydrophobicContact CG2-CG2 4.47Å; A221-I224 VanDerWaalsContact O-CG1 3.27Å; A221-I224 WeakPolarHBondContact O-CG1 3.45Å; A221-I224 PolarHBondContact O-N 3.42Å; A221-I224 VanDerWaalsContact O-N 3.14Å; G222-I224 VanDerWaalsContact C-N 3.32Å; G222-I224 PolarHBondContact O-N 2.99Å; I224-V229 HydrophobicContact CD1-CG2 4.1Å; I224-V229 HydrophobicContact CG1-CG2 4.34Å
225	G	88	Confident	90.8	Very high	30 Å²	30	18.9 Å²	18.9	31%	0.309	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	125.1	-2	-179.9	0	0	0	0	0	115.1	A221	A221-G225 PolarHBondContact O-N 2.93Å
226	G	90.5	Very high	90.2	Very high	17 Å²	17	14.8 Å²	14.8	18%	0.175	11%	0.106	C	C	.	.			trans	100.8	-175.5	173.5	0	0	0	0	0	115.2	A221 G228 V229 T230	A221-G226 VanDerWaalsContact O-CA 3.27Å; A221-G226 WeakPolarHBondContact O-CA 3.21Å; A221-G226 PolarHBondContact O-N 2.79Å; G226-G228 PolarHBondContact O-N 2.88Å; G226-V229 WeakPolarHBondContact O-CG2 3.37Å; G226-V229 PolarHBondContact O-N 2.67Å; G226-T230 PolarHBondContact O-N 3.13Å; G226-T230 PolarHBondContact O-OG1 2.83Å
227	L	89.6	Confident	89.3	Confident	55 Å²	55	16.6 Å²	16.6	29%	0.288	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.7	-172.8	-50	175.9	0	0	0	113.7	D218 A221 V229 V245 H246 A262	D218-L227 HydrophobicContact CB-CD2 4.27Å; A221-L227 HydrophobicContact CB-CD2 3.57Å; L227-V229 VanDerWaalsContact C-N 3.29Å; L227-V229 PolarHBondContact O-N 2.87Å; L227-V245 HydrophobicContact CD2-CG1 3.78Å; L227-H246 HydrophobicContact CB-CB 4.11Å; L227-A262 WeakPolarHBondContact O-CB 3.4Å
228	G	89.7	Confident	88.2	Confident	14 Å²	14	24.8 Å²	24.8	14%	0.144	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.5	175.6	0	0	0	0	0	114.2	G226 N259 A262	G226-G228 PolarHBondContact O-N 2.88Å; G228-N259 PolarHBondContact O-ND2 2.78Å; G228-A262 WeakPolarHBondContact O-CB 3.44Å; G228-A262 PolarHBondContact O-N 3.33Å
229	V	90.8	Very high	87.4	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.012	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-2.5	178.5	-61.2	0	0	0	0	114	I122 I224 G226 L227 P231 T261 L301	I122-V229 HydrophobicContact CD1-CB 3.84Å; I122-V229 HydrophobicContact CD1-CG1 4.1Å; I122-V229 HydrophobicContact CD1-CG2 4.05Å; I224-V229 HydrophobicContact CD1-CG2 4.1Å; I224-V229 HydrophobicContact CG1-CG2 4.34Å; G226-V229 WeakPolarHBondContact O-CG2 3.37Å; G226-V229 PolarHBondContact O-N 2.67Å; L227-V229 VanDerWaalsContact C-N 3.29Å; L227-V229 PolarHBondContact O-N 2.87Å; V229-P231 WeakPolarHBondContact O-CD 3.22Å; V229-T261 HydrophobicContact CB-CG2 4.2Å; V229-T261 HydrophobicContact CG1-CG2 4Å; V229-L301 HydrophobicContact CG1-CD2 3.69Å
230	T	92.2	Very high	86.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.15	C	C	.	.			trans	-95.6	114.4	-174.1	-55.2	0	0	0	0	111	A221 G226 V245 A262	A221-T230 WeakPolarHBondContact CA-OG1 3.15Å; A221-T230 HydrophobicContact CB-CG2 3.81Å; A221-T230 WeakPolarHBondContact CB-OG1 3.45Å; G226-T230 PolarHBondContact O-N 3.13Å; G226-T230 PolarHBondContact O-OG1 2.83Å; T230-V245 HydrophobicContact CG2-CG2 4.4Å; T230-A262 WeakPolarHBondContact O-CB 3.1Å
231	P	93	Very high	86.5	Confident	10 Å²	10	24.1 Å²	24.1	7%	0.065	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	165.9	177.2	35	-37.1	0	0	0	112.7	P118 V229 L265 S266 M269	P118-P231 HydrophobicContact CG-CG 3.92Å; V229-P231 WeakPolarHBondContact O-CD 3.22Å; P231-L265 HydrophobicContact CB-CB 3.72Å; P231-L265 HydrophobicContact CG-CB 3.96Å; P231-S266 VanDerWaalsContact CA-OG 3.27Å; P231-S266 WeakPolarHBondContact CA-OG 3.39Å; P231-S266 VanDerWaalsContact CB-N 3.32Å; P231-S266 WeakPolarHBondContact CB-OG 3.44Å; P231-M269 HydrophobicContact CB-SD 3.79Å; P231-M269 HydrophobicContact CG-SD 3.95Å
232	S	91.2	Very high	86.4	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.9	170.7	73.8	0	0	0	0	113.5	V116 F242 E243 S266	V116-S232 CarbonylContact O-C 3.5Å; V116-S232 WeakPolarHBondContact O-CA 3.39Å; S232-F242 WeakPolarHBondContact O-CA 3.41Å; S232-E243 PolarHBondContact N-O 3.43Å; S232-E243 PolarHBondContact O-N 3.14Å; S232-E243 VanDerWaalsContact O-N 3.11Å; S232-E243 WeakPolarHBondContact OG-CG 3.49Å; S232-E243 PolarHBondContact OG-O 3.27Å; S232-S266 PolarHBondContact N-OG 3.25Å; S232-S266 PolarHBondContact O-OG 3.21Å
233	G	89.8	Confident	86.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.9	173.4	0	0	0	0	0	111.3	V116	V116-G233 PolarHBondContact N-O 2.79Å; V116-G233 PolarHBondContact O-N 2.71Å
234	N	87.2	Confident	85.8	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.2	170	-65.1	-62.6	0	0	0	109.6	Y103 L112 A114 N115 M240 I241 E243	Y103-N234 PolarHBondContact OH-OD1 3.49Å; L112-N234 HydrophobicContact CB-CB 4.36Å; L112-N234 HydrophobicContact CD1-CB 4.03Å; A114-N234 CarbonylContact O-C 3.58Å; A114-N234 WeakPolarHBondContact O-CA 3.37Å; N115-N234 WeakPolarHBondContact CB-OD1 3.35Å; N115-N234 PolarHBondContact ND2-OD1 3.32Å; N234-M240 CarbonylContact O-C 3.47Å; N234-M240 WeakPolarHBondContact O-CA 3.49Å; N234-I241 HydrophobicContact CB-CB 4.3Å; N234-I241 WeakPolarHBondContact CB-O 3.3Å; N234-I241 PolarHBondContact N-O 3.37Å; N234-I241 PolarHBondContact O-N 2.79Å; N234-E243 PolarHBondContact ND2-OE1 2.8Å
235	I	83.4	Confident	85.4	Confident	8 Å²	8	22.8 Å²	22.8	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.2	-170.9	-51.9	-57.9	0	0	0	109.2	L112 F113 A114 V116 M240 F242	L112-I235 CarbonylContact C-O 3.5Å; L112-I235 WeakPolarHBondContact CA-O 3.43Å; F113-I235 HydrophobicContact CE2-CG2 4.45Å; F113-I235 HydrophobicContact CZ-CG2 4.33Å; F113-I235 PolarHBondContact N-O 2.7Å; A114-I235 PolarHBondContact N-O 2.98Å; A114-I235 PolarHBondContact O-N 2.86Å; V116-I235 HydrophobicContact CG2-CG1 4.02Å; I235-M240 HydrophobicContact CD1-CB 4.37Å; I235-M240 HydrophobicContact CD1-CG 4.12Å; I235-M240 HydrophobicContact CD1-SD 4.15Å; I235-M240 HydrophobicContact CG2-CG 4.43Å; I235-F242 HydrophobicContact CD1-CE1 4.31Å; I235-F242 HydrophobicContact CD1-CZ 4.04Å
236	G	76.9	Confident	85.1	Confident	2 Å²	2	22.5 Å²	22.5	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	-177.9	174.1	0	0	0	0	0	112.6	N111 A239	N111-G236 WeakPolarHBondContact O-CA 3.45Å; G236-A239 CarbonylContact C-O 3.33Å; G236-A239 WeakPolarHBondContact CA-O 3.1Å; G236-A239 PolarHBondContact N-O 2.79Å
237	T	71.6	Confident	84.7	Confident	38 Å²	38	23.8 Å²	23.8	23%	0.233	14%	0.139	C	C	.	.	S	Bend	trans	-75.3	-32.3	178.7	38.6	0	0	0	0	113.6	N111 F113	N111-T237 PolarHBondContact ND2-OG1 2.83Å; F113-T237 HydrophobicContact CE1-CG2 4.01Å
238	E	69.1	Low	84.5	Confident	173 Å²	173	23.1 Å²	23.1	81%	0.808	14%	0.137	S	C	*	.	S	Bend	trans	-116.6	-26.3	-171.7	-57.3	-163.6	171.9	0	0	113.5
239	A	76.2	Confident	84.4	Confident	28 Å²	28	23.8 Å²	23.8	23%	0.231	14%	0.141	C	C	.	.			trans	-138.9	166.9	176.1	0	0	0	0	0	111.3	F110 L112 G236	F110-A239 HydrophobicContact CB-CB 4.13Å; F110-A239 HydrophobicContact CD1-CB 3.89Å; F110-A239 HydrophobicContact CG-CB 4.19Å; L112-A239 HydrophobicContact CD2-CB 4.32Å; L112-A239 WeakPolarHBondContact CD2-O 3.31Å; G236-A239 CarbonylContact C-O 3.33Å; G236-A239 WeakPolarHBondContact CA-O 3.1Å; G236-A239 PolarHBondContact N-O 2.79Å
240	M	82.2	Confident	84.4	Confident	48 Å²	48	28.3 Å²	28.3	24%	0.236	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.7	173.3	-61.1	171.2	-72.4	0	0	108	Y46 N234 I235 F242 Q273	Y46-M240 HydrophobicContact CE1-CE 4.07Å; Y46-M240 HydrophobicContact CE1-SD 3.91Å; Y46-M240 WeakPolarHBondContact OH-CE 3.4Å; N234-M240 CarbonylContact O-C 3.47Å; N234-M240 WeakPolarHBondContact O-CA 3.49Å; I235-M240 HydrophobicContact CD1-CB 4.37Å; I235-M240 HydrophobicContact CD1-CG 4.12Å; I235-M240 HydrophobicContact CD1-SD 4.15Å; I235-M240 HydrophobicContact CG2-CG 4.43Å; M240-F242 HydrophobicContact CB-CE2 3.78Å; M240-F242 HydrophobicContact CB-CZ 4.29Å; M240-Q273 HydrophobicContact CE-CG 3.66Å; M240-Q273 HydrophobicContact SD-CG 3.41Å; M240-Q273 WeakPolarHBondContact SD-CG 3.23Å
241	I	86	Confident	84.4	Confident	18 Å²	18	33.9 Å²	33.9	9%	0.092	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.3	-178.9	-62.2	-176.4	0	0	0	109	F96 I106 L112 N234	F96-I241 HydrophobicContact CB-CG2 3.97Å; I106-I241 HydrophobicContact CG2-CD1 3.37Å; L112-I241 HydrophobicContact CD1-CB 4.26Å; L112-I241 HydrophobicContact CD1-CD1 3.68Å; L112-I241 HydrophobicContact CD1-CG1 3.89Å; N234-I241 HydrophobicContact CB-CB 4.3Å; N234-I241 WeakPolarHBondContact CB-O 3.3Å; N234-I241 PolarHBondContact N-O 3.37Å; N234-I241 PolarHBondContact O-N 2.79Å
242	F	89.5	Confident	84.4	Confident	12 Å²	12	35.8 Å²	35.8	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.5	-179	-64.6	-88.8	0	0	0	109.2	S232 I235 M240 S266 M269 M270 Q273	S232-F242 WeakPolarHBondContact O-CA 3.41Å; I235-F242 HydrophobicContact CD1-CE1 4.31Å; I235-F242 HydrophobicContact CD1-CZ 4.04Å; M240-F242 HydrophobicContact CB-CE2 3.78Å; M240-F242 HydrophobicContact CB-CZ 4.29Å; F242-S266 WeakPolarHBondContact CB-O 3.2Å; F242-M269 HydrophobicContact CD1-CB 3.71Å; F242-M269 HydrophobicContact CE1-CB 3.7Å; F242-M270 HydrophobicContact CB-CB 4.14Å; F242-M270 HydrophobicContact CD1-CB 4.29Å; F242-M270 HydrophobicContact CD2-CB 3.47Å; F242-M270 VanDerWaalsContact CD2-CB 3.47Å; F242-M270 HydrophobicContact CD2-CG 3.66Å; F242-M270 HydrophobicContact CE2-CB 3.89Å; F242-M270 HydrophobicContact CE2-CG 3.97Å; F242-M270 HydrophobicContact CG-CB 3.7Å; F242-M270 HydrophobicContact CG-CG 4.36Å; F242-M270 HydrophobicContact CZ-CB 4.46Å; F242-Q273 HydrophobicContact CZ-CB 3.97Å; F242-Q273 HydrophobicContact CZ-CG 4.11Å
243	E	87.2	Confident	84.4	Confident	10 Å²	10	37.5 Å²	37.5	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	163.2	-170.2	72.7	-177.8	150.9	0	0	112.3	Y103 S232 N234 S266	Y103-E243 WeakPolarHBondContact CE2-OE1 3.35Å; S232-E243 PolarHBondContact N-O 3.43Å; S232-E243 PolarHBondContact O-N 3.14Å; S232-E243 VanDerWaalsContact O-N 3.11Å; S232-E243 WeakPolarHBondContact OG-CG 3.49Å; S232-E243 PolarHBondContact OG-O 3.27Å; N234-E243 PolarHBondContact ND2-OE1 2.8Å; E243-S266 WeakPolarHBondContact O-CB 3.29Å; E243-S266 PolarHBondContact O-OG 2.97Å
244	S	85.5	Confident	84.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.7	171.1	50.8	0	0	0	0	111.9	H246	S244-H246 VanDerWaalsContact C-N 3.31Å; S244-H246 VanDerWaalsContact CB-CE1 3.49Å; S244-H246 WeakPolarHBondContact CB-CE1 3.12Å; S244-H246 VanDerWaalsContact CB-NE2 3.25Å; S244-H246 WeakPolarHBondContact CB-NE2 3.4Å; S244-H246 PolarHBondContact O-N 2.93Å; S244-H246 PolarHBondContact OG-CE1 2.9Å; S244-H246 VanDerWaalsContact OG-CE1 3.29Å
245	V	84.2	Confident	84.8	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	-66.3	-31.6	179.8	179.2	0	0	0	0	112.8	K98 R117 L227 T230	K98-V245 PolarHBondContact NZ-O 3.04Å; R117-V245 HydrophobicContact CG-CG2 4.15Å; L227-V245 HydrophobicContact CD2-CG1 3.78Å; T230-V245 HydrophobicContact CG2-CG2 4.4Å
246	H	81.6	Confident	85.4	Confident	25 Å²	25	47.4 Å²	47.4	12%	0.116	29%	0.289	C	S	.	.	S	Bend	trans	-63.4	172	-174.6	61.2	60.6	0	0	0	114.9	K98 L227 S244	K98-H246 PolarHBondContact NZ-O 2.99Å; L227-H246 HydrophobicContact CB-CB 4.11Å; S244-H246 VanDerWaalsContact C-N 3.31Å; S244-H246 VanDerWaalsContact CB-CE1 3.49Å; S244-H246 WeakPolarHBondContact CB-CE1 3.12Å; S244-H246 VanDerWaalsContact CB-NE2 3.25Å; S244-H246 WeakPolarHBondContact CB-NE2 3.4Å; S244-H246 PolarHBondContact O-N 2.93Å; S244-H246 PolarHBondContact OG-CE1 2.9Å; S244-H246 VanDerWaalsContact OG-CE1 3.29Å
247	G	82.7	Confident	86.2	Confident	43 Å²	43	50.6 Å²	50.6	44%	0.443	31%	0.306	S	S	.	.			trans	-75.7	-171.1	175.9	0	0	0	0	0	113.9
248	T	84.3	Confident	87.3	Confident	42 Å²	42	48.9 Å²	48.9	26%	0.258	30%	0.295	S	S	.	.			trans	-83.8	-11.6	177.4	49.5	0	0	0	0	114.2	D67 G68 I69	D67-T248 HydrophobicContact CB-CG2 4.27Å; G68-T248 CarbonylContact C-O 3.52Å; G68-T248 WeakPolarHBondContact CA-O 3.37Å; I69-T248 PolarHBondContact N-O 3.18Å
249	A	88.6	Confident	88.5	Confident	28 Å²	28	41.1 Å²	41.1	23%	0.231	26%	0.259	C	S	.	.			trans	40.4	57.7	177.5	0	0	0	0	0	114.1	I69 D251 I252 A253	I69-A249 HydrophobicContact CD1-CB 4.06Å; I69-A249 HydrophobicContact CG1-CB 4.22Å; I69-A249 HydrophobicContact CG2-CB 3.95Å; A249-D251 WeakPolarHBondContact CA-OD1 3.27Å; A249-D251 PolarHBondContact O-N 2.98Å; A249-D251 VanDerWaalsContact O-N 3.12Å; A249-I252 HydrophobicContact CB-CD1 4.05Å; A249-I252 HydrophobicContact CB-CG1 3.76Å; A249-I252 WeakPolarHBondContact O-CG1 3.33Å; A249-I252 PolarHBondContact O-N 3.11Å; A249-A253 PolarHBondContact O-N 3.34Å
250	P	89.3	Confident	89.3	Confident	96 Å²	96	39.8 Å²	39.8	62%	0.623	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.4	-171.3	30.3	-37	0	0	0	113.7
251	D	93.4	Very high	89.8	Confident	118 Å²	118	37.5 Å²	37.5	63%	0.631	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.3	177.4	53.9	-61.7	0	0	0	114.1	A249 Q255	A249-D251 WeakPolarHBondContact CA-OD1 3.27Å; A249-D251 PolarHBondContact O-N 2.98Å; A249-D251 VanDerWaalsContact O-N 3.12Å; D251-Q255 PolarHBondContact O-NE2 2.72Å
252	I	92.4	Very high	90.2	Very high	50 Å²	50	36.6 Å²	36.6	26%	0.256	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	0.5	175	59.3	164.2	0	0	0	113.4	I69 A249 G254 Q255	I69-I252 HydrophobicContact CG2-CD1 4.03Å; I69-I252 HydrophobicContact CG2-CG1 3.74Å; A249-I252 HydrophobicContact CB-CD1 4.05Å; A249-I252 HydrophobicContact CB-CG1 3.76Å; A249-I252 WeakPolarHBondContact O-CG1 3.33Å; A249-I252 PolarHBondContact O-N 3.11Å; I252-G254 PolarHBondContact O-N 3.4Å; I252-Q255 WeakPolarHBondContact O-CB 3.29Å; I252-Q255 PolarHBondContact O-N 3.15Å
253	A	91.3	Very high	90.3	Very high	36 Å²	36	36 Å²	36	30%	0.298	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	124.3	-175.8	0	0	0	0	0	112.9	G68 I69 A249 Q255	G68-A253 VanDerWaalsContact C-CB 3.4Å; I69-A253 HydrophobicContact CG2-CB 4.4Å; A249-A253 PolarHBondContact O-N 3.34Å; A253-Q255 VanDerWaalsContact C-N 3.32Å
254	G	92.5	Very high	90.6	Very high	68 Å²	68	35.6 Å²	35.6	70%	0.701	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	12.8	178.2	0	0	0	0	0	114.6	E72 I252	E72-G254 VanDerWaalsContact OE2-CA 3.29Å; E72-G254 WeakPolarHBondContact OE2-CA 3.47Å; E72-G254 PolarHBondContact OE2-N 2.98Å; I252-G254 PolarHBondContact O-N 3.4Å
255	Q	94.1	Very high	91	Very high	107 Å²	107	36.4 Å²	36.4	50%	0.5	23%	0.232	S	C	.	.	S	Bend	trans	-95	-0.9	177.7	-62.2	177.7	37.7	0	0	113.2	E72 D251 I252 A253 L257	E72-Q255 PolarHBondContact OE2-N 3.13Å; D251-Q255 PolarHBondContact O-NE2 2.72Å; I252-Q255 WeakPolarHBondContact O-CB 3.29Å; I252-Q255 PolarHBondContact O-N 3.15Å; A253-Q255 VanDerWaalsContact C-N 3.32Å; Q255-L257 HydrophobicContact CB-CB 4.49Å; Q255-L257 HydrophobicContact CB-CD1 3.84Å; Q255-L257 HydrophobicContact CB-CG 3.91Å
256	D	95.2	Very high	91.4	Very high	43 Å²	43	36 Å²	36	23%	0.23	23%	0.229	C	C	.	.	S	Bend	trans	63.7	40.5	-175.2	-162.2	17.8	0	0	0	111.8	E72 K306 C307 S308	E72-D256 VanDerWaalsContact CD-CA 3.5Å; E72-D256 VanDerWaalsContact OE1-CA 3.27Å; E72-D256 WeakPolarHBondContact OE1-CA 3.31Å; E72-D256 PolarHBondContact OE1-N 3.07Å; E72-D256 PolarHBondContact OE2-N 3.32Å; D256-K306 HydrophobicContact CB-CB 4.49Å; D256-K306 HydrophobicContact CB-CD 4.18Å; D256-K306 CarbonylContact O-C 3.44Å; D256-K306 WeakPolarHBondContact O-CA 3.41Å; D256-K306 WeakPolarHBondContact O-CB 3.32Å; D256-K306 VanDerWaalsContact OD2-CD 3.27Å; D256-K306 WeakPolarHBondContact OD2-CD 3.19Å; D256-C307 PolarHBondContact O-N 3.01Å; D256-C307 WeakPolarHBondContact OD1-CB 3.38Å; D256-C307 PolarHBondContact OD1-N 3.42Å; D256-S308 WeakPolarHBondContact OD1-CB 3.48Å; D256-S308 PolarHBondContact OD1-N 3.3Å; D256-S308 PolarHBondContact OD1-OG 3.03Å; D256-S308 WeakPolarHBondContact OD2-CB 3.23Å; D256-S308 PolarHBondContact OD2-OG 3.44Å
257	L	94.3	Very high	91.9	Very high	69 Å²	69	34.8 Å²	34.8	36%	0.361	22%	0.224	S	C	.	.			trans	-123.1	-8.6	-174	-65	-179.2	0	0	0	113.8	E72 Q255	E72-L257 PolarHBondContact OE1-N 3.33Å; Q255-L257 HydrophobicContact CB-CB 4.49Å; Q255-L257 HydrophobicContact CB-CD1 3.84Å; Q255-L257 HydrophobicContact CB-CG 3.91Å
258	A	93.7	Very high	92.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	20%	0.203	C	C	.	.			trans	-72.5	140.3	-174.8	0	0	0	0	0	112.5	I69 E72 I73 P260 C307	I69-A258 HydrophobicContact CB-CB 3.74Å; I69-A258 HydrophobicContact CD1-CB 4.08Å; I69-A258 HydrophobicContact CG1-CB 4.5Å; I69-A258 HydrophobicContact CG2-CB 3.76Å; E72-A258 VanDerWaalsContact OE1-CB 3.24Å; E72-A258 WeakPolarHBondContact OE1-CB 3.38Å; E72-A258 PolarHBondContact OE1-N 2.78Å; I73-A258 HydrophobicContact CG2-CB 3.61Å; A258-P260 VanDerWaalsContact O-CD 3.32Å; A258-P260 WeakPolarHBondContact O-CD 3.27Å; A258-C307 VanDerWaalsContact O-CB 3.23Å; A258-C307 WeakPolarHBondContact O-CB 3.15Å; A258-C307 PolarHBondContact O-SG 3.12Å
259	N	93.5	Very high	92.7	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	20%	0.2	C	C	.	.			trans	-81.8	115.4	172.3	-174.6	-5.4	0	0	0	110.6	G228 T261 T298 D300	G228-N259 PolarHBondContact O-ND2 2.78Å; N259-T261 VanDerWaalsContact C-N 3.28Å; N259-T261 PolarHBondContact O-N 3.04Å; N259-T261 WeakPolarHBondContact OD1-CB 3.39Å; N259-T261 PolarHBondContact OD1-N 3.3Å; N259-T261 PolarHBondContact OD1-OG1 2.87Å; N259-T298 HydrophobicContact CB-CG2 4.38Å; N259-T298 WeakPolarHBondContact CB-OG1 3.36Å; N259-D300 WeakPolarHBondContact CB-OD1 3.08Å; N259-D300 WeakPolarHBondContact CB-OD2 3.2Å; N259-D300 PolarHBondContact ND2-OD2 2.8Å
260	P	93.7	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.			trans	-82	-3.2	179.5	35.1	-35.7	0	0	0	113.3	I73 S76 A258 A262 L263 L264 Y310	I73-P260 HydrophobicContact CB-CB 4.19Å; I73-P260 HydrophobicContact CG2-CB 4.13Å; S76-P260 WeakPolarHBondContact OG-CB 3.41Å; S76-P260 WeakPolarHBondContact OG-CG 3.28Å; A258-P260 VanDerWaalsContact O-CD 3.32Å; A258-P260 WeakPolarHBondContact O-CD 3.27Å; P260-A262 PolarHBondContact O-N 2.72Å; P260-L263 PolarHBondContact O-N 2.72Å; P260-L264 WeakPolarHBondContact O-CB 3.27Å; P260-L264 PolarHBondContact O-N 3.2Å; P260-Y310 HydrophobicContact CG-CD1 3.51Å; P260-Y310 HydrophobicContact CG-CE1 3.83Å
261	T	93.8	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-49.8	-167.4	-61.1	0	0	0	0	113.5	V229 N259 L263 L264 L265 L291 Y310	V229-T261 HydrophobicContact CB-CG2 4.2Å; V229-T261 HydrophobicContact CG1-CG2 4Å; N259-T261 VanDerWaalsContact C-N 3.28Å; N259-T261 PolarHBondContact O-N 3.04Å; N259-T261 WeakPolarHBondContact OD1-CB 3.39Å; N259-T261 PolarHBondContact OD1-N 3.3Å; N259-T261 PolarHBondContact OD1-OG1 2.87Å; T261-L263 VanDerWaalsContact C-N 3.35Å; T261-L263 PolarHBondContact O-N 2.92Å; T261-L264 PolarHBondContact O-N 3.08Å; T261-L265 HydrophobicContact CG2-CD1 3.78Å; T261-L265 HydrophobicContact CG2-CG 4.24Å; T261-L265 WeakPolarHBondContact O-CB 3.39Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.35Å; T261-L291 HydrophobicContact CG2-CD1 4.02Å; T261-Y310 WeakPolarHBondContact OG1-CE1 3.38Å; T261-Y310 PolarHBondContact OG1-OH 3.01Å
262	A	92.9	Very high	92.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.2	-48.2	177.3	0	0	0	0	0	112.1	L227 G228 T230 P260 L265 S266	L227-A262 WeakPolarHBondContact O-CB 3.4Å; G228-A262 WeakPolarHBondContact O-CB 3.44Å; G228-A262 PolarHBondContact O-N 3.33Å; T230-A262 WeakPolarHBondContact O-CB 3.1Å; P260-A262 PolarHBondContact O-N 2.72Å; A262-L265 PolarHBondContact O-N 3.2Å; A262-S266 PolarHBondContact O-N 2.67Å; A262-S266 PolarHBondContact O-OG 2.67Å
263	L	93.1	Very high	91.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-39.7	178.3	-176.8	68.5	0	0	0	112.2	I73 V77 L95 I97 P260 T261 S266 S267	I73-L263 HydrophobicContact CB-CD2 4.09Å; I73-L263 HydrophobicContact CD1-CB 4.25Å; I73-L263 HydrophobicContact CD1-CD2 3.98Å; I73-L263 HydrophobicContact CG1-CD2 3.78Å; V77-L263 HydrophobicContact CB-CD2 4.38Å; V77-L263 HydrophobicContact CG2-CB 4.32Å; V77-L263 HydrophobicContact CG2-CD2 3.78Å; V77-L263 HydrophobicContact CG2-CG 3.94Å; L95-L263 HydrophobicContact CD2-CD1 4Å; L95-L263 HydrophobicContact CD2-CD2 4.4Å; L95-L263 HydrophobicContact CD2-CG 4.22Å; I97-L263 HydrophobicContact CD1-CD1 3.51Å; I97-L263 HydrophobicContact CD1-CD2 3.47Å; I97-L263 VanDerWaalsContact CD1-CD2 3.47Å; I97-L263 HydrophobicContact CD1-CG 4.13Å; I97-L263 HydrophobicContact CG1-CD1 3.74Å; P260-L263 PolarHBondContact O-N 2.72Å; T261-L263 VanDerWaalsContact C-N 3.35Å; T261-L263 PolarHBondContact O-N 2.92Å; L263-S266 PolarHBondContact O-N 3.33Å; L263-S267 WeakPolarHBondContact O-CB 3.18Å; L263-S267 PolarHBondContact O-N 3.33Å; L263-S267 PolarHBondContact O-OG 3.37Å
264	L	93.4	Very high	91.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-42.7	179.2	-174.4	65.2	0	0	0	111.2	V77 I80 F81 P260 T261 S267 V268 V283 C287 I314	V77-L264 HydrophobicContact CG1-CD1 4.3Å; V77-L264 HydrophobicContact CG2-CB 4.05Å; V77-L264 HydrophobicContact CG2-CD1 4Å; I80-L264 HydrophobicContact CB-CD1 4.18Å; I80-L264 HydrophobicContact CD1-CD1 4.02Å; I80-L264 HydrophobicContact CD1-CD2 3.83Å; I80-L264 HydrophobicContact CG2-CD1 3.82Å; F81-L264 HydrophobicContact CE1-CD1 4.35Å; P260-L264 WeakPolarHBondContact O-CB 3.27Å; P260-L264 PolarHBondContact O-N 3.2Å; T261-L264 PolarHBondContact O-N 3.08Å; L264-S267 CarbonylContact O-C 3.56Å; L264-S267 WeakPolarHBondContact O-CA 3.17Å; L264-S267 WeakPolarHBondContact O-CB 3.23Å; L264-S267 PolarHBondContact O-N 2.79Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L264-V268 PolarHBondContact O-N 3.05Å; L264-V283 HydrophobicContact CD1-CG1 3.61Å; L264-V283 HydrophobicContact CD2-CG1 4.38Å; L264-V283 HydrophobicContact CG-CG1 3.92Å; L264-C287 HydrophobicContact CD2-CB 3.93Å; L264-I314 HydrophobicContact CD2-CD1 3.83Å
265	L	93.6	Very high	90.8	Very high	20 Å²	20	23.3 Å²	23.3	11%	0.105	12%	0.124	C	C	.	.	H	α-helix	trans	-69.9	-36.1	175.8	-67.5	176.8	0	0	0	112	P231 T261 A262 S267 V268 M269 E284	P231-L265 HydrophobicContact CB-CB 3.72Å; P231-L265 HydrophobicContact CG-CB 3.96Å; T261-L265 HydrophobicContact CG2-CD1 3.78Å; T261-L265 HydrophobicContact CG2-CG 4.24Å; T261-L265 WeakPolarHBondContact O-CB 3.39Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.35Å; A262-L265 PolarHBondContact O-N 3.2Å; L265-S267 PolarHBondContact O-N 3.08Å; L265-V268 WeakPolarHBondContact O-CB 3.26Å; L265-V268 PolarHBondContact O-N 3.45Å; L265-V268 VanDerWaalsContact O-N 3.13Å; L265-M269 PolarHBondContact O-N 3.04Å; L265-E284 HydrophobicContact CD2-CG 4.34Å
266	S	92.3	Very high	90.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-37.2	168.1	-60.8	0	0	0	0	111.2	P231 S232 F242 E243 A262 L263 V268 M269 M270	P231-S266 VanDerWaalsContact CA-OG 3.27Å; P231-S266 WeakPolarHBondContact CA-OG 3.39Å; P231-S266 VanDerWaalsContact CB-N 3.32Å; P231-S266 WeakPolarHBondContact CB-OG 3.44Å; S232-S266 PolarHBondContact N-OG 3.25Å; S232-S266 PolarHBondContact O-OG 3.21Å; F242-S266 WeakPolarHBondContact CB-O 3.2Å; E243-S266 WeakPolarHBondContact O-CB 3.29Å; E243-S266 PolarHBondContact O-OG 2.97Å; A262-S266 PolarHBondContact O-N 2.67Å; A262-S266 PolarHBondContact O-OG 2.67Å; L263-S266 PolarHBondContact O-N 3.33Å; S266-V268 VanDerWaalsContact C-N 3.34Å; S266-M269 WeakPolarHBondContact O-CB 3.48Å; S266-M269 PolarHBondContact O-N 2.8Å; S266-M270 PolarHBondContact O-N 3.28Å
267	S	91.2	Very high	90.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71.5	-27.4	176.2	-52	0	0	0	0	112.5	F81 L95 L263 L264 L265 M270 L271	F81-S267 VanDerWaalsContact CZ-CB 3.5Å; L95-S267 VanDerWaalsContact CD2-OG 3.32Å; L95-S267 WeakPolarHBondContact CD2-OG 3.13Å; L263-S267 WeakPolarHBondContact O-CB 3.18Å; L263-S267 PolarHBondContact O-N 3.33Å; L263-S267 PolarHBondContact O-OG 3.37Å; L264-S267 CarbonylContact O-C 3.56Å; L264-S267 WeakPolarHBondContact O-CA 3.17Å; L264-S267 WeakPolarHBondContact O-CB 3.23Å; L264-S267 PolarHBondContact O-N 2.79Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L265-S267 PolarHBondContact O-N 3.08Å; S267-M270 WeakPolarHBondContact O-CB 3Å; S267-L271 WeakPolarHBondContact O-CG 3.31Å; S267-L271 PolarHBondContact O-N 3.5Å
268	V	92.4	Very high	89.9	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-46.2	166.6	169.4	0	0	0	0	110.8	L264 L265 S266 M270 L271 R272 A280 V283 E284	L264-V268 PolarHBondContact O-N 3.05Å; L265-V268 WeakPolarHBondContact O-CB 3.26Å; L265-V268 PolarHBondContact O-N 3.45Å; L265-V268 VanDerWaalsContact O-N 3.13Å; S266-V268 VanDerWaalsContact C-N 3.34Å; V268-M270 VanDerWaalsContact C-N 3.25Å; V268-M270 PolarHBondContact O-N 3.11Å; V268-L271 PolarHBondContact O-N 2.83Å; V268-R272 WeakPolarHBondContact O-CG 3.19Å; V268-R272 PolarHBondContact O-N 3.29Å; V268-A280 HydrophobicContact CG1-CB 4.24Å; V268-V283 HydrophobicContact CG2-CB 3.94Å; V268-V283 HydrophobicContact CG2-CG1 3.59Å; V268-E284 HydrophobicContact CG1-CB 3.92Å; V268-E284 HydrophobicContact CG1-CG 4.17Å; V268-E284 WeakPolarHBondContact CG1-OE1 3.5Å; V268-E284 HydrophobicContact CG2-CB 4.05Å
269	M	91	Very high	89.6	Confident	40 Å²	40	26.1 Å²	26.1	20%	0.197	14%	0.141	C	C	.	.	H	α-helix	trans	-55.8	-42.9	174.7	-65.8	173.2	65.7	0	0	111.1	V116 P118 P231 F242 L265 S266 R272 Q273	V116-M269 HydrophobicContact CB-CE 4.44Å; V116-M269 HydrophobicContact CG1-CE 4.31Å; P118-M269 HydrophobicContact CG-CE 4.21Å; P118-M269 HydrophobicContact CG-SD 3.91Å; P231-M269 HydrophobicContact CB-SD 3.79Å; P231-M269 HydrophobicContact CG-SD 3.95Å; F242-M269 HydrophobicContact CD1-CB 3.71Å; F242-M269 HydrophobicContact CE1-CB 3.7Å; L265-M269 PolarHBondContact O-N 3.04Å; S266-M269 WeakPolarHBondContact O-CB 3.48Å; S266-M269 PolarHBondContact O-N 2.8Å; M269-R272 PolarHBondContact O-N 2.84Å; M269-Q273 WeakPolarHBondContact O-CB 3.1Å; M269-Q273 PolarHBondContact O-N 3.45Å
270	M	89.2	Confident	89.4	Confident	12 Å²	12	25.6 Å²	25.6	6%	0.059	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-49.7	172.4	-173.3	-172	67.4	0	0	112.2	V61 F81 L90 L95 F242 S266 S267 V268 R272 Q273 V274	V61-M270 HydrophobicContact CB-SD 4.43Å; V61-M270 HydrophobicContact CG1-CE 4.32Å; V61-M270 HydrophobicContact CG1-SD 3.48Å; V61-M270 WeakPolarHBondContact CG1-SD 3.07Å; V61-M270 HydrophobicContact CG2-CE 4.35Å; V61-M270 HydrophobicContact CG2-SD 4.1Å; F81-M270 HydrophobicContact CE2-CE 3.88Å; F81-M270 HydrophobicContact CZ-CE 4.42Å; L90-M270 HydrophobicContact CD1-CE 4.46Å; L95-M270 HydrophobicContact CD1-CE 4.1Å; L95-M270 HydrophobicContact CD1-SD 3.75Å; F242-M270 HydrophobicContact CB-CB 4.14Å; F242-M270 HydrophobicContact CD1-CB 4.29Å; F242-M270 HydrophobicContact CD2-CB 3.47Å; F242-M270 VanDerWaalsContact CD2-CB 3.47Å; F242-M270 HydrophobicContact CD2-CG 3.66Å; F242-M270 HydrophobicContact CE2-CB 3.89Å; F242-M270 HydrophobicContact CE2-CG 3.97Å; F242-M270 HydrophobicContact CG-CB 3.7Å; F242-M270 HydrophobicContact CG-CG 4.36Å; F242-M270 HydrophobicContact CZ-CB 4.46Å; S266-M270 PolarHBondContact O-N 3.28Å; S267-M270 WeakPolarHBondContact O-CB 3Å; V268-M270 VanDerWaalsContact C-N 3.25Å; V268-M270 PolarHBondContact O-N 3.11Å; M270-R272 VanDerWaalsContact C-N 3.32Å; M270-R272 PolarHBondContact O-N 2.94Å; M270-Q273 PolarHBondContact O-N 3.48Å; M270-Q273 VanDerWaalsContact O-N 3.16Å; M270-V274 WeakPolarHBondContact O-CG2 3.39Å; M270-V274 PolarHBondContact O-N 3.24Å
271	L	88.1	Confident	89.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-39.6	-179.5	-73.5	175.1	0	0	0	112.6	F81 V86 S267 V268 V274 G275 L276 A280 V283	F81-L271 HydrophobicContact CE1-CD1 3.98Å; F81-L271 HydrophobicContact CE2-CD1 4.13Å; F81-L271 HydrophobicContact CE2-CD2 4.21Å; F81-L271 HydrophobicContact CE2-CG 4.19Å; F81-L271 HydrophobicContact CZ-CD1 3.5Å; F81-L271 HydrophobicContact CZ-CD2 4.36Å; F81-L271 HydrophobicContact CZ-CG 3.85Å; V86-L271 HydrophobicContact CG1-CD2 3.74Å; V86-L271 HydrophobicContact CG2-CD1 4.03Å; V86-L271 HydrophobicContact CG2-CD2 4.2Å; S267-L271 WeakPolarHBondContact O-CG 3.31Å; S267-L271 PolarHBondContact O-N 3.5Å; V268-L271 PolarHBondContact O-N 2.83Å; L271-V274 WeakPolarHBondContact O-CG2 3.45Å; L271-V274 PolarHBondContact O-N 3.26Å; L271-G275 PolarHBondContact O-N 3.38Å; L271-L276 HydrophobicContact CD2-CB 4.16Å; L271-L276 HydrophobicContact CD2-CD1 3.99Å; L271-L276 WeakPolarHBondContact O-CA 3.47Å; L271-L276 PolarHBondContact O-N 3.22Å; L271-A280 HydrophobicContact CB-CB 3.61Å; L271-V283 HydrophobicContact CD1-CG2 4.27Å
272	R	88.9	Confident	89.2	Confident	76 Å²	76	30 Å²	30	29%	0.287	16%	0.162	S	C	.	.	H	α-helix	trans	-61.7	-48.2	172.8	-64.8	-174.2	179.5	-63.3	1.1	111.4	V268 M269 M270 V274 G275 A280 N281 E284	V268-R272 WeakPolarHBondContact O-CG 3.19Å; V268-R272 PolarHBondContact O-N 3.29Å; M269-R272 PolarHBondContact O-N 2.84Å; M270-R272 VanDerWaalsContact C-N 3.32Å; M270-R272 PolarHBondContact O-N 2.94Å; R272-V274 VanDerWaalsContact C-N 3.25Å; R272-V274 PolarHBondContact O-N 2.99Å; R272-G275 PolarHBondContact O-N 2.8Å; R272-A280 HydrophobicContact CG-CB 3.68Å; R272-N281 VanDerWaalsContact CZ-OD1 3.28Å; R272-N281 PolarHBondContact NH1-OD1 3.4Å; R272-N281 PolarHBondContact NH2-OD1 2.83Å; R272-E284 IonicContact CZ-OE1 2.71Å; R272-E284 IonicContact CZ-OE2 3.64Å; R272-E284 IonicContact NE-OE1 3.38Å; R272-E284 VanDerWaalsContact NH2-CD 3.33Å; R272-E284 IonicContact NH2-OE1 3.7Å; R272-E284 PolarHBondContact NH2-OE1 3.2Å; R272-E284 IonicContact NH2-OE2 3.35Å; R272-E284 PolarHBondContact NH2-OE2 2.88Å
273	Q	81.5	Confident	89.2	Confident	28 Å²	28	30 Å²	30	13%	0.131	16%	0.162	C	C	.	.	H	α-helix	trans	-66.6	-22	-177.5	-174.2	54.9	78.2	0	0	114	M240 F242 M269 M270	M240-Q273 HydrophobicContact CE-CG 3.66Å; M240-Q273 HydrophobicContact SD-CG 3.41Å; M240-Q273 WeakPolarHBondContact SD-CG 3.23Å; F242-Q273 HydrophobicContact CZ-CB 3.97Å; F242-Q273 HydrophobicContact CZ-CG 4.11Å; M269-Q273 WeakPolarHBondContact O-CB 3.1Å; M269-Q273 PolarHBondContact O-N 3.45Å; M270-Q273 PolarHBondContact O-N 3.48Å; M270-Q273 VanDerWaalsContact O-N 3.16Å
274	V	80.7	Confident	89.2	Confident	44 Å²	44	32.8 Å²	32.8	27%	0.267	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.5	172.7	-55	0	0	0	0	113.7	L59 M270 L271 R272 L276	L59-V274 HydrophobicContact CD2-CB 3.67Å; L59-V274 HydrophobicContact CD2-CG1 3.35Å; L59-V274 HydrophobicContact CD2-CG2 4.2Å; M270-V274 WeakPolarHBondContact O-CG2 3.39Å; M270-V274 PolarHBondContact O-N 3.24Å; L271-V274 WeakPolarHBondContact O-CG2 3.45Å; L271-V274 PolarHBondContact O-N 3.26Å; R272-V274 VanDerWaalsContact C-N 3.25Å; R272-V274 PolarHBondContact O-N 2.99Å; V274-L276 HydrophobicContact CG2-CB 4.27Å; V274-L276 HydrophobicContact CG2-CD1 4.11Å; V274-L276 HydrophobicContact CG2-CG 3.95Å
275	G	80.2	Confident	89.1	Confident	39 Å²	39	38.4 Å²	38.4	40%	0.402	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-2.2	176.9	0	0	0	0	0	115.7	L271 R272 N277	L271-G275 PolarHBondContact O-N 3.38Å; R272-G275 PolarHBondContact O-N 2.8Å; G275-N277 PolarHBondContact O-N 3.03Å; G275-N277 PolarHBondContact O-ND2 3.03Å
276	L	85.7	Confident	89	Confident	44 Å²	44	37.7 Å²	37.7	23%	0.23	19%	0.193	C	C	.	.			trans	-81.2	49.6	-178.8	-61.9	-175.9	0	0	0	112.2	Q89 L90 L271 V274 D278 K279 A280	Q89-L276 HydrophobicContact CB-CD1 4.3Å; Q89-L276 VanDerWaalsContact OE1-CD2 3.23Å; L90-L276 HydrophobicContact CD2-CD1 4.2Å; L271-L276 HydrophobicContact CD2-CB 4.16Å; L271-L276 HydrophobicContact CD2-CD1 3.99Å; L271-L276 WeakPolarHBondContact O-CA 3.47Å; L271-L276 PolarHBondContact O-N 3.22Å; V274-L276 HydrophobicContact CG2-CB 4.27Å; V274-L276 HydrophobicContact CG2-CD1 4.11Å; V274-L276 HydrophobicContact CG2-CG 3.95Å; L276-D278 VanDerWaalsContact C-N 3.35Å; L276-D278 PolarHBondContact O-N 2.99Å; L276-K279 PolarHBondContact O-N 2.86Å; L276-A280 WeakPolarHBondContact O-CB 3.41Å; L276-A280 PolarHBondContact O-N 3.3Å
277	N	88.9	Confident	89	Confident	69 Å²	69	37.7 Å²	37.7	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-60.7	-36.7	-169.7	-74.6	-70.4	0	0	0	114	G275 A280 N281	G275-N277 PolarHBondContact O-N 3.03Å; G275-N277 PolarHBondContact O-ND2 3.03Å; N277-A280 WeakPolarHBondContact O-CB 3.17Å; N277-A280 PolarHBondContact O-N 2.72Å; N277-N281 WeakPolarHBondContact O-CB 3.39Å; N277-N281 PolarHBondContact O-N 3.13Å; N277-N281 PolarHBondContact O-ND2 3.21Å; N277-N281 PolarHBondContact O-OD1 2.94Å
278	D	89.1	Confident	89.1	Confident	134 Å²	134	40.2 Å²	40.2	72%	0.717	21%	0.206	S	C	*	.	H	α-helix	trans	-68.3	-45.8	-179.6	-55.8	-45.2	0	0	0	111.7	L276 A280 N281 L282	L276-D278 VanDerWaalsContact C-N 3.35Å; L276-D278 PolarHBondContact O-N 2.99Å; D278-A280 VanDerWaalsContact C-N 3.3Å; D278-A280 PolarHBondContact O-N 3.31Å; D278-N281 PolarHBondContact O-N 2.95Å; D278-L282 WeakPolarHBondContact O-CB 3.41Å; D278-L282 PolarHBondContact O-N 3.23Å
279	K	88.5	Confident	89	Confident	31 Å²	31	42.8 Å²	42.8	14%	0.135	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-30.9	173.9	-63.7	-64.3	-164.3	173	0	111.2	A84 E85 V86 L276 L282 V283	A84-K279 VanDerWaalsContact O-CD 3.24Å; A84-K279 WeakPolarHBondContact O-CD 3.23Å; A84-K279 WeakPolarHBondContact O-CE 3.25Å; A84-K279 PolarHBondContact O-NZ 3.21Å; E85-K279 IonicContact OE2-NZ 3.1Å; E85-K279 PolarHBondContact OE2-NZ 3.14Å; V86-K279 HydrophobicContact CG2-CB 3.66Å; V86-K279 HydrophobicContact CG2-CG 4.15Å; L276-K279 PolarHBondContact O-N 2.86Å; K279-L282 HydrophobicContact CD-CD2 4.39Å; K279-L282 PolarHBondContact O-N 2.89Å; K279-V283 WeakPolarHBondContact O-CG2 3.4Å; K279-V283 PolarHBondContact O-N 3.1Å
280	A	90.1	Very high	89	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-50.5	171.6	0	0	0	0	0	112	V268 L271 R272 L276 N277 D278 L282 V283 E284	V268-A280 HydrophobicContact CG1-CB 4.24Å; L271-A280 HydrophobicContact CB-CB 3.61Å; R272-A280 HydrophobicContact CG-CB 3.68Å; L276-A280 WeakPolarHBondContact O-CB 3.41Å; L276-A280 PolarHBondContact O-N 3.3Å; N277-A280 WeakPolarHBondContact O-CB 3.17Å; N277-A280 PolarHBondContact O-N 2.72Å; D278-A280 VanDerWaalsContact C-N 3.3Å; D278-A280 PolarHBondContact O-N 3.31Å; A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.36Å; A280-V283 PolarHBondContact O-N 3.09Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.26Å
281	N	92.3	Very high	89.1	Confident	62 Å²	62	40.5 Å²	40.5	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-56.1	-41.6	175.8	-66.5	-26.7	0	0	0	111.6	R272 N277 D278 R285	R272-N281 VanDerWaalsContact CZ-OD1 3.28Å; R272-N281 PolarHBondContact NH1-OD1 3.4Å; R272-N281 PolarHBondContact NH2-OD1 2.83Å; N277-N281 WeakPolarHBondContact O-CB 3.39Å; N277-N281 PolarHBondContact O-N 3.13Å; N277-N281 PolarHBondContact O-ND2 3.21Å; N277-N281 PolarHBondContact O-OD1 2.94Å; D278-N281 PolarHBondContact O-N 2.95Å; N281-R285 WeakPolarHBondContact O-CB 3.41Å; N281-R285 PolarHBondContact O-N 3.46Å
282	L	91	Very high	89.1	Confident	30 Å²	30	46 Å²	46	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-38.8	-179.9	-176.3	67	0	0	0	112.9	D278 K279 A280 G286 R318 E321	D278-L282 WeakPolarHBondContact O-CB 3.41Å; D278-L282 PolarHBondContact O-N 3.23Å; K279-L282 HydrophobicContact CD-CD2 4.39Å; K279-L282 PolarHBondContact O-N 2.89Å; A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 2.54Å; L282-R318 PolarHBondContact O-NE 3.43Å; L282-E321 WeakPolarHBondContact CD1-OE2 3.31Å
283	V	92	Very high	89.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-46.1	173.6	172.7	0	0	0	0	110.7	I80 F81 A84 L264 V268 L271 K279 A280 G286 C287 R318	I80-V283 HydrophobicContact CG2-CG1 4.23Å; F81-V283 HydrophobicContact CE1-CG1 4.36Å; F81-V283 HydrophobicContact CE1-CG2 4.27Å; A84-V283 HydrophobicContact CB-CG2 4.23Å; L264-V283 HydrophobicContact CD1-CG1 3.61Å; L264-V283 HydrophobicContact CD2-CG1 4.38Å; L264-V283 HydrophobicContact CG-CG1 3.92Å; V268-V283 HydrophobicContact CG2-CB 3.94Å; V268-V283 HydrophobicContact CG2-CG1 3.59Å; L271-V283 HydrophobicContact CD1-CG2 4.27Å; K279-V283 WeakPolarHBondContact O-CG2 3.4Å; K279-V283 PolarHBondContact O-N 3.1Å; A280-V283 PolarHBondContact O-N 3.09Å; V283-G286 PolarHBondContact O-N 3.29Å; V283-C287 PolarHBondContact O-N 3.45Å; V283-C287 VanDerWaalsContact O-N 3.13Å; V283-R318 VanDerWaalsContact CG2-NH2 3.33Å
284	E	93	Very high	89.4	Confident	59 Å²	59	45.1 Å²	45.1	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-46.9	-178.6	-166.1	178	-108	0	0	111.7	L265 V268 R272 A280 C287 L288	L265-E284 HydrophobicContact CD2-CG 4.34Å; V268-E284 HydrophobicContact CG1-CB 3.92Å; V268-E284 HydrophobicContact CG1-CG 4.17Å; V268-E284 WeakPolarHBondContact CG1-OE1 3.5Å; V268-E284 HydrophobicContact CG2-CB 4.05Å; R272-E284 IonicContact CZ-OE1 2.71Å; R272-E284 IonicContact CZ-OE2 3.64Å; R272-E284 IonicContact NE-OE1 3.38Å; R272-E284 VanDerWaalsContact NH2-CD 3.33Å; R272-E284 IonicContact NH2-OE1 3.7Å; R272-E284 PolarHBondContact NH2-OE1 3.2Å; R272-E284 IonicContact NH2-OE2 3.35Å; R272-E284 PolarHBondContact NH2-OE2 2.88Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.26Å; E284-C287 WeakPolarHBondContact O-CB 3.38Å; E284-C287 PolarHBondContact O-N 2.65Å; E284-L288 HydrophobicContact CG-CD1 4Å; E284-L288 WeakPolarHBondContact O-CB 3.05Å; E284-L288 WeakPolarHBondContact O-CG 3.06Å; E284-L288 PolarHBondContact O-N 2.94Å
285	R	91.7	Very high	89.7	Confident	118 Å²	118	51.6 Å²	51.6	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-49	176	-174.7	-173.6	-58.7	155.6	9.5	111.8	N281 C287 L288 D289 E321	N281-R285 WeakPolarHBondContact O-CB 3.41Å; N281-R285 PolarHBondContact O-N 3.46Å; R285-C287 PolarHBondContact O-N 2.66Å; R285-L288 PolarHBondContact O-N 3.03Å; R285-D289 VanDerWaalsContact CG-OD2 3.26Å; R285-D289 WeakPolarHBondContact CG-OD2 3.48Å; R285-D289 WeakPolarHBondContact O-CB 3.47Å; R285-D289 PolarHBondContact O-N 2.96Å; R285-E321 WeakPolarHBondContact CD-OE1 3.46Å; R285-E321 IonicContact CZ-OE1 2.81Å; R285-E321 IonicContact CZ-OE2 3.81Å; R285-E321 IonicContact NE-OE1 3.62Å; R285-E321 IonicContact NH1-OE1 3.5Å; R285-E321 PolarHBondContact NH1-OE1 2.99Å; R285-E321 IonicContact NH1-OE2 2.67Å; R285-E321 PolarHBondContact NH1-OE2 2.96Å
286	G	92.2	Very high	90.2	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-39.3	179.3	0	0	0	0	0	112.7	L282 V283 T290	L282-G286 PolarHBondContact O-N 2.54Å; V283-G286 PolarHBondContact O-N 3.29Å; G286-T290 WeakPolarHBondContact O-CB 3.36Å; G286-T290 PolarHBondContact O-N 2.94Å; G286-T290 PolarHBondContact O-OG1 3.39Å
287	C	92.3	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-54.6	173.1	-170.9	0	0	0	0	112.3	L264 V283 E284 R285 D289 T290 L291 I314	L264-C287 HydrophobicContact CD2-CB 3.93Å; V283-C287 PolarHBondContact O-N 3.45Å; V283-C287 VanDerWaalsContact O-N 3.13Å; E284-C287 WeakPolarHBondContact O-CB 3.38Å; E284-C287 PolarHBondContact O-N 2.65Å; R285-C287 PolarHBondContact O-N 2.66Å; C287-D289 PolarHBondContact O-N 2.89Å; C287-T290 WeakPolarHBondContact O-CA 3.42Å; C287-T290 WeakPolarHBondContact O-CB 3.23Å; C287-T290 PolarHBondContact O-N 3.42Å; C287-L291 WeakPolarHBondContact O-CG 3.42Å; C287-L291 PolarHBondContact O-N 3.41Å; C287-I314 HydrophobicContact CB-CD1 4.26Å
288	L	91.4	Very high	90.7	Very high	52 Å²	52	46.3 Å²	46.3	27%	0.272	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-42	-177.6	-69.2	174.6	0	0	0	112.7	I122 E284 R285 T290 L291 K292	I122-L288 HydrophobicContact CG1-CD2 4.18Å; I122-L288 HydrophobicContact CG2-CD2 3.99Å; E284-L288 HydrophobicContact CG-CD1 4Å; E284-L288 WeakPolarHBondContact O-CB 3.05Å; E284-L288 WeakPolarHBondContact O-CG 3.06Å; E284-L288 PolarHBondContact O-N 2.94Å; R285-L288 PolarHBondContact O-N 3.03Å; L288-T290 VanDerWaalsContact C-N 3.27Å; L288-T290 PolarHBondContact O-N 3.15Å; L288-L291 PolarHBondContact O-N 3.44Å; L288-K292 WeakPolarHBondContact O-CB 3.29Å; L288-K292 PolarHBondContact O-N 3.04Å
289	D	91	Very high	90.8	Very high	56 Å²	56	43.4 Å²	43.4	30%	0.299	23%	0.228	S	C	.	.	H	α-helix	trans	-72.4	-19	175.8	-79.6	-44	0	0	0	112.7	R285 C287 K292 A293 K317	R285-D289 VanDerWaalsContact CG-OD2 3.26Å; R285-D289 WeakPolarHBondContact CG-OD2 3.48Å; R285-D289 WeakPolarHBondContact O-CB 3.47Å; R285-D289 PolarHBondContact O-N 2.96Å; C287-D289 PolarHBondContact O-N 2.89Å; D289-K292 IonicContact OD1-NZ 3.68Å; D289-K292 PolarHBondContact OD1-NZ 3.28Å; D289-K292 VanDerWaalsContact OD1-NZ 3.1Å; D289-A293 VanDerWaalsContact O-CB 3.29Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.02Å; D289-K317 HydrophobicContact CB-CD 4.38Å; D289-K317 PolarHBondContact O-NZ 2.96Å
290	T	91.6	Very high	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.8	-50.7	169.5	-64	0	0	0	0	110.4	G286 C287 L288 K292 A293 G294 Y310 E313 I314	G286-T290 WeakPolarHBondContact O-CB 3.36Å; G286-T290 PolarHBondContact O-N 2.94Å; G286-T290 PolarHBondContact O-OG1 3.39Å; C287-T290 WeakPolarHBondContact O-CA 3.42Å; C287-T290 WeakPolarHBondContact O-CB 3.23Å; C287-T290 PolarHBondContact O-N 3.42Å; L288-T290 VanDerWaalsContact C-N 3.27Å; L288-T290 PolarHBondContact O-N 3.15Å; T290-K292 PolarHBondContact O-N 3.44Å; T290-A293 PolarHBondContact O-N 3.17Å; T290-G294 PolarHBondContact O-N 2.83Å; T290-Y310 HydrophobicContact CG2-CD2 4.06Å; T290-Y310 HydrophobicContact CG2-CE2 3.69Å; T290-E313 HydrophobicContact CG2-CB 4.32Å; T290-E313 HydrophobicContact CG2-CG 3.77Å; T290-I314 HydrophobicContact CG2-CG1 4.05Å; T290-I314 WeakPolarHBondContact OG1-CG1 3.37Å
291	L	90	Very high	90.8	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-49.9	175.6	-65.4	164.2	0	0	0	111.6	I122 T261 C287 L288 A293 G294 L297 L301 Y310	I122-L291 HydrophobicContact CD1-CD1 4.12Å; I122-L291 HydrophobicContact CG2-CB 3.81Å; I122-L291 HydrophobicContact CG2-CD1 3.93Å; I122-L291 HydrophobicContact CG2-CG 4.48Å; T261-L291 HydrophobicContact CG2-CD1 4.02Å; C287-L291 WeakPolarHBondContact O-CG 3.42Å; C287-L291 PolarHBondContact O-N 3.41Å; L288-L291 PolarHBondContact O-N 3.44Å; L291-A293 VanDerWaalsContact C-N 3.26Å; L291-A293 PolarHBondContact O-N 2.89Å; L291-G294 PolarHBondContact O-N 3.24Å; L291-G294 VanDerWaalsContact O-N 3.1Å; L291-L297 HydrophobicContact CD2-CD2 4.01Å; L291-L301 HydrophobicContact CD2-CD1 3.47Å; L291-L301 VanDerWaalsContact CD2-CD1 3.47Å; L291-Y310 HydrophobicContact CD2-CE2 4.27Å; L291-Y310 WeakPolarHBondContact CD2-OH 3.29Å; L291-Y310 WeakPolarHBondContact CG-OH 3.21Å
292	K	88.8	Confident	90.5	Very high	117 Å²	117	46.9 Å²	46.9	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-27.7	177.6	179.8	175.4	161.4	-156.2	0	114.6	P123 L288 D289 T290	P123-K292 WeakPolarHBondContact O-CB 3.12Å; P123-K292 WeakPolarHBondContact O-CD 3.29Å; P123-K292 VanDerWaalsContact O-CG 3.24Å; P123-K292 WeakPolarHBondContact O-CG 3.48Å; L288-K292 WeakPolarHBondContact O-CB 3.29Å; L288-K292 PolarHBondContact O-N 3.04Å; D289-K292 IonicContact OD1-NZ 3.68Å; D289-K292 PolarHBondContact OD1-NZ 3.28Å; D289-K292 VanDerWaalsContact OD1-NZ 3.1Å; T290-K292 PolarHBondContact O-N 3.44Å
293	A	88.7	Confident	90.5	Very high	42 Å²	42	46.9 Å²	46.9	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-78.5	-22.1	177.2	0	0	0	0	0	112.7	D289 T290 L291 R295	D289-A293 VanDerWaalsContact O-CB 3.29Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.02Å; T290-A293 PolarHBondContact O-N 3.17Å; L291-A293 VanDerWaalsContact C-N 3.26Å; L291-A293 PolarHBondContact O-N 2.89Å; A293-R295 WeakPolarHBondContact O-CG 3.35Å; A293-R295 PolarHBondContact O-N 3.32Å
294	G	87.3	Confident	90.6	Very high	43 Å²	43	52.7 Å²	52.7	44%	0.443	31%	0.314	S	S	.	.			trans	65.4	-2.5	173.7	0	0	0	0	0	117	T290 L291	T290-G294 PolarHBondContact O-N 2.83Å; L291-G294 PolarHBondContact O-N 3.24Å; L291-G294 VanDerWaalsContact O-N 3.1Å
295	R	87.6	Confident	90.6	Very high	180 Å²	180	50.6 Å²	50.6	68%	0.679	31%	0.306	S	S	*	.	S	Bend	trans	-78.3	-42.7	-175.8	-54.4	-175.7	-58.6	-170.2	5.2	113	A293 E313	A293-R295 WeakPolarHBondContact O-CG 3.35Å; A293-R295 PolarHBondContact O-N 3.32Å; R295-E313 IonicContact CZ-OE1 2.69Å; R295-E313 IonicContact NE-OE1 2.67Å; R295-E313 IonicContact NH2-OE1 2.63Å; R295-E313 PolarHBondContact NH2-OE1 3.01Å; R295-E313 IonicContact NH2-OE2 2.65Å
296	T	90.7	Very high	90.8	Very high	24 Å²	24	49.7 Å²	49.7	15%	0.147	31%	0.306	C	S	.	.	S	Bend	trans	-117.4	86	-173.6	-45	0	0	0	0	106.5	A305 D309 Y310 E313	T296-A305 HydrophobicContact CG2-CB 3.59Å; T296-D309 HydrophobicContact CG2-CB 4.07Å; T296-Y310 VanDerWaalsContact O-CD2 3.23Å; T296-Y310 WeakPolarHBondContact O-CD2 3.26Å; T296-E313 HydrophobicContact CG2-CB 4.03Å
297	L	92.1	Very high	90.9	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	30%	0.304	C	S	.	.			trans	-126	143.9	-179.4	-67.5	-176.8	0	0	0	109.6	L291 L301 G303 S304 A305	L291-L297 HydrophobicContact CD2-CD2 4.01Å; L297-L301 HydrophobicContact CB-CB 4.15Å; L297-L301 HydrophobicContact CD1-CB 4.4Å; L297-L301 HydrophobicContact CD2-CB 4.42Å; L297-L301 HydrophobicContact CD2-CD1 4.04Å; L297-G303 CarbonylContact O-C 3.54Å; L297-G303 VanDerWaalsContact O-CA 3.31Å; L297-G303 WeakPolarHBondContact O-CA 3.46Å; L297-S304 PolarHBondContact O-N 3.43Å; L297-S304 VanDerWaalsContact O-N 3.08Å; L297-A305 WeakPolarHBondContact O-CB 3.38Å; L297-A305 PolarHBondContact O-N 2.83Å
298	T	92.7	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	32%	0.315	C	S	.	.			trans	-74.9	166.6	173.5	45.6	0	0	0	0	111.5	N259 D300 L301 G302 G303	N259-T298 HydrophobicContact CB-CG2 4.38Å; N259-T298 WeakPolarHBondContact CB-OG1 3.36Å; T298-D300 VanDerWaalsContact C-N 3.32Å; T298-D300 WeakPolarHBondContact CB-OD1 3.5Å; T298-D300 PolarHBondContact O-N 3.36Å; T298-D300 PolarHBondContact OG1-OD1 2.73Å; T298-L301 CarbonylContact O-C 3Å; T298-L301 PolarHBondContact O-N 2.85Å; T298-G302 PolarHBondContact O-N 3.13Å; T298-G303 PolarHBondContact O-N 3.16Å
299	A	91.7	Very high	91.2	Very high	72 Å²	72	52.1 Å²	52.1	60%	0.595	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64.4	-31.6	-172	0	0	0	0	0	114.3	L301 G302 G303	A299-L301 PolarHBondContact O-N 3.29Å; A299-G302 PolarHBondContact O-N 2.82Å; A299-G302 VanDerWaalsContact O-N 3.12Å; A299-G303 WeakPolarHBondContact CA-O 3.49Å
300	D	89.4	Confident	91.3	Very high	83 Å²	83	49.4 Å²	49.4	44%	0.444	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-66.5	-25.4	173.8	65.4	-45.3	0	0	0	113.1	N259 T298 G302	N259-D300 WeakPolarHBondContact CB-OD1 3.08Å; N259-D300 WeakPolarHBondContact CB-OD2 3.2Å; N259-D300 PolarHBondContact ND2-OD2 2.8Å; T298-D300 VanDerWaalsContact C-N 3.32Å; T298-D300 WeakPolarHBondContact CB-OD1 3.5Å; T298-D300 PolarHBondContact O-N 3.36Å; T298-D300 PolarHBondContact OG1-OD1 2.73Å; D300-G302 VanDerWaalsContact C-N 3.33Å
301	L	88.4	Confident	91.5	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-93.3	11.6	173.8	-56.7	-179	0	0	0	112.8	Y125 V229 L291 L297 T298 A299 G303	Y125-L301 HydrophobicContact CE1-CD2 4.37Å; Y125-L301 HydrophobicContact CE2-CB 4.06Å; Y125-L301 HydrophobicContact CE2-CD2 4.11Å; V229-L301 HydrophobicContact CG1-CD2 3.69Å; L291-L301 HydrophobicContact CD2-CD1 3.47Å; L291-L301 VanDerWaalsContact CD2-CD1 3.47Å; L297-L301 HydrophobicContact CB-CB 4.15Å; L297-L301 HydrophobicContact CD1-CB 4.4Å; L297-L301 HydrophobicContact CD2-CB 4.42Å; L297-L301 HydrophobicContact CD2-CD1 4.04Å; T298-L301 CarbonylContact O-C 3Å; T298-L301 PolarHBondContact O-N 2.85Å; A299-L301 PolarHBondContact O-N 3.29Å; L301-G303 VanDerWaalsContact C-N 3.34Å
302	G	88	Confident	91.6	Very high	73 Å²	73	53.6 Å²	53.6	75%	0.753	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	11.4	-179.7	0	0	0	0	0	115.3	T298 A299 D300	T298-G302 PolarHBondContact O-N 3.13Å; A299-G302 PolarHBondContact O-N 2.82Å; A299-G302 VanDerWaalsContact O-N 3.12Å; D300-G302 VanDerWaalsContact C-N 3.33Å
303	G	90.4	Very high	91.8	Very high	30 Å²	30	49.2 Å²	49.2	31%	0.309	31%	0.31	S	S	.	.			trans	-97.5	-163.4	176.5	0	0	0	0	0	114.3	L297 T298 A299 L301	L297-G303 CarbonylContact O-C 3.54Å; L297-G303 VanDerWaalsContact O-CA 3.31Å; L297-G303 WeakPolarHBondContact O-CA 3.46Å; T298-G303 PolarHBondContact O-N 3.16Å; A299-G303 WeakPolarHBondContact CA-O 3.49Å; L301-G303 VanDerWaalsContact C-N 3.34Å
304	S	92.9	Very high	92	Very high	123 Å²	123	47.2 Å²	47.2	86%	0.86	29%	0.293	S	S	*	.			trans	-141.1	9.2	-179.6	59.1	0	0	0	0	113.9	L297	L297-S304 PolarHBondContact O-N 3.43Å; L297-S304 VanDerWaalsContact O-N 3.08Å
305	A	93.7	Very high	92.2	Very high	14 Å²	14	46.4 Å²	46.4	12%	0.116	28%	0.281	C	S	.	.			trans	-79.4	150.7	178.6	0	0	0	0	0	111.4	T296 L297 D309	T296-A305 HydrophobicContact CG2-CB 3.59Å; L297-A305 WeakPolarHBondContact O-CB 3.38Å; L297-A305 PolarHBondContact O-N 2.83Å; A305-D309 HydrophobicContact CB-CB 4.07Å
306	K	95.6	Very high	92	Very high	100 Å²	100	43.7 Å²	43.7	44%	0.435	27%	0.274	S	S	.	.			trans	-77.1	165.5	175.9	-63.8	-168.3	179	-166.1	0	112.9	D256 S308 D309 Y310	D256-K306 HydrophobicContact CB-CB 4.49Å; D256-K306 HydrophobicContact CB-CD 4.18Å; D256-K306 CarbonylContact O-C 3.44Å; D256-K306 WeakPolarHBondContact O-CA 3.41Å; D256-K306 WeakPolarHBondContact O-CB 3.32Å; D256-K306 VanDerWaalsContact OD2-CD 3.27Å; D256-K306 WeakPolarHBondContact OD2-CD 3.19Å; K306-S308 PolarHBondContact O-N 3.37Å; K306-D309 HydrophobicContact CB-CB 4.3Å; K306-D309 VanDerWaalsContact CB-OD2 3.27Å; K306-D309 WeakPolarHBondContact CB-OD2 3.43Å; K306-D309 WeakPolarHBondContact CG-OD2 3.37Å; K306-D309 PolarHBondContact N-OD2 2.96Å; K306-D309 PolarHBondContact O-N 3.25Å; K306-Y310 WeakPolarHBondContact O-CB 3.41Å; K306-Y310 PolarHBondContact O-N 3.46Å
307	C	94.3	Very high	91.5	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-43.8	169.4	-169.8	0	0	0	0	110.5	E72 D256 A258 Y310 T311	E72-C307 HydrophobicContact CG-CB 4.23Å; D256-C307 PolarHBondContact O-N 3.01Å; D256-C307 WeakPolarHBondContact OD1-CB 3.38Å; D256-C307 PolarHBondContact OD1-N 3.42Å; A258-C307 VanDerWaalsContact O-CB 3.23Å; A258-C307 WeakPolarHBondContact O-CB 3.15Å; A258-C307 PolarHBondContact O-SG 3.12Å; C307-Y310 PolarHBondContact O-N 3.21Å; C307-T311 WeakPolarHBondContact O-CB 3.27Å; C307-T311 PolarHBondContact O-N 2.94Å; C307-T311 PolarHBondContact O-OG1 3.41Å
308	S	95.2	Very high	90.3	Very high	33 Å²	33	44.1 Å²	44.1	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-45.4	174.8	62.8	0	0	0	0	113.4	D256 K306 T311 N312	D256-S308 WeakPolarHBondContact OD1-CB 3.48Å; D256-S308 PolarHBondContact OD1-N 3.3Å; D256-S308 PolarHBondContact OD1-OG 3.03Å; D256-S308 WeakPolarHBondContact OD2-CB 3.23Å; D256-S308 PolarHBondContact OD2-OG 3.44Å; K306-S308 PolarHBondContact O-N 3.37Å; S308-T311 WeakPolarHBondContact O-CB 3.26Å; S308-T311 PolarHBondContact O-N 2.8Å; S308-N312 WeakPolarHBondContact O-CB 3.16Å; S308-N312 PolarHBondContact O-N 3.45Å; S308-N312 PolarHBondContact O-ND2 3.21Å; S308-N312 VanDerWaalsContact O-ND2 3.13Å
309	D	94.7	Very high	88.8	Confident	71 Å²	71	47.3 Å²	47.3	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-45.9	176.7	-62.5	-41.2	0	0	0	111.6	T296 A305 K306 T311 N312 E313	T296-D309 HydrophobicContact CG2-CB 4.07Å; A305-D309 HydrophobicContact CB-CB 4.07Å; K306-D309 HydrophobicContact CB-CB 4.3Å; K306-D309 VanDerWaalsContact CB-OD2 3.27Å; K306-D309 WeakPolarHBondContact CB-OD2 3.43Å; K306-D309 WeakPolarHBondContact CG-OD2 3.37Å; K306-D309 PolarHBondContact N-OD2 2.96Å; K306-D309 PolarHBondContact O-N 3.25Å; D309-T311 VanDerWaalsContact C-N 3.35Å; D309-T311 PolarHBondContact O-N 2.88Å; D309-N312 PolarHBondContact O-N 3.46Å; D309-N312 VanDerWaalsContact O-N 3.16Å; D309-E313 PolarHBondContact O-N 2.96Å
310	Y	94	Very high	86.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-44.3	176.5	-171.6	-97.2	0	0	0	111.8	P260 T261 T290 L291 T296 K306 C307 N312 I314	P260-Y310 HydrophobicContact CG-CD1 3.51Å; P260-Y310 HydrophobicContact CG-CE1 3.83Å; T261-Y310 WeakPolarHBondContact OG1-CE1 3.38Å; T261-Y310 PolarHBondContact OG1-OH 3.01Å; T290-Y310 HydrophobicContact CG2-CD2 4.06Å; T290-Y310 HydrophobicContact CG2-CE2 3.69Å; L291-Y310 HydrophobicContact CD2-CE2 4.27Å; L291-Y310 WeakPolarHBondContact CD2-OH 3.29Å; L291-Y310 WeakPolarHBondContact CG-OH 3.21Å; T296-Y310 VanDerWaalsContact O-CD2 3.23Å; T296-Y310 WeakPolarHBondContact O-CD2 3.26Å; K306-Y310 WeakPolarHBondContact O-CB 3.41Å; K306-Y310 PolarHBondContact O-N 3.46Å; C307-Y310 PolarHBondContact O-N 3.21Å; Y310-N312 VanDerWaalsContact C-N 3.32Å; Y310-N312 PolarHBondContact O-N 3.38Å; Y310-I314 HydrophobicContact CD1-CD1 3.86Å; Y310-I314 HydrophobicContact CE1-CD1 3.4Å; Y310-I314 VanDerWaalsContact CE1-CD1 3.4Å; Y310-I314 HydrophobicContact CE1-CG1 4.48Å; Y310-I314 WeakPolarHBondContact O-CG1 3.35Å; Y310-I314 PolarHBondContact O-N 3.03Å; Y310-I314 VanDerWaalsContact O-N 3.17Å
311	T	94.4	Very high	85.1	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-44.1	173.6	-54.8	0	0	0	0	111.2	S76 K79 I80 C307 S308 D309 I314 C315	S76-T311 VanDerWaalsContact CB-OG1 3.28Å; S76-T311 WeakPolarHBondContact CB-OG1 3.45Å; S76-T311 PolarHBondContact OG-OG1 2.94Å; K79-T311 HydrophobicContact CB-CG2 3.92Å; K79-T311 HydrophobicContact CD-CG2 4.17Å; I80-T311 HydrophobicContact CD1-CG2 4.13Å; I80-T311 HydrophobicContact CG1-CG2 3.9Å; C307-T311 WeakPolarHBondContact O-CB 3.27Å; C307-T311 PolarHBondContact O-N 2.94Å; C307-T311 PolarHBondContact O-OG1 3.41Å; S308-T311 WeakPolarHBondContact O-CB 3.26Å; S308-T311 PolarHBondContact O-N 2.8Å; D309-T311 VanDerWaalsContact C-N 3.35Å; D309-T311 PolarHBondContact O-N 2.88Å; T311-I314 PolarHBondContact O-N 3.04Å; T311-C315 PolarHBondContact O-N 3.02Å; T311-C315 PolarHBondContact O-SG 2.96Å; T311-C315 VanDerWaalsContact O-SG 3.33Å
312	N	94	Very high	82.9	Confident	87 Å²	87	58.7 Å²	58.7	47%	0.465	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-40.7	-177.3	-68.1	-25.6	0	0	0	112.5	S308 D309 Y310 C315 F316	S308-N312 WeakPolarHBondContact O-CB 3.16Å; S308-N312 PolarHBondContact O-N 3.45Å; S308-N312 PolarHBondContact O-ND2 3.21Å; S308-N312 VanDerWaalsContact O-ND2 3.13Å; D309-N312 PolarHBondContact O-N 3.46Å; D309-N312 VanDerWaalsContact O-N 3.16Å; Y310-N312 VanDerWaalsContact C-N 3.32Å; Y310-N312 PolarHBondContact O-N 3.38Å; N312-C315 PolarHBondContact O-N 3.3Å; N312-F316 VanDerWaalsContact O-CB 3.27Å; N312-F316 WeakPolarHBondContact O-CB 3.44Å; N312-F316 PolarHBondContact O-N 3.35Å
313	E	93.2	Very high	82.6	Confident	25 Å²	25	58 Å²	58	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-42.8	174.2	176.4	80.7	169.1	0	0	110.8	T290 R295 T296 D309 C315 F316 K317	T290-E313 HydrophobicContact CG2-CB 4.32Å; T290-E313 HydrophobicContact CG2-CG 3.77Å; R295-E313 IonicContact CZ-OE1 2.69Å; R295-E313 IonicContact NE-OE1 2.67Å; R295-E313 IonicContact NH2-OE1 2.63Å; R295-E313 PolarHBondContact NH2-OE1 3.01Å; R295-E313 IonicContact NH2-OE2 2.65Å; T296-E313 HydrophobicContact CG2-CB 4.03Å; D309-E313 PolarHBondContact O-N 2.96Å; E313-C315 PolarHBondContact O-N 2.81Å; E313-F316 PolarHBondContact O-N 3.19Å; E313-K317 VanDerWaalsContact CD-CE 3.46Å; E313-K317 WeakPolarHBondContact O-CG 3.48Å; E313-K317 PolarHBondContact O-N 3.18Å; E313-K317 WeakPolarHBondContact OE1-CE 3.34Å; E313-K317 IonicContact OE1-NZ 3.78Å; E313-K317 PolarHBondContact OE1-NZ 2.71Å
314	I	92.3	Very high	82.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-44.1	175.1	-68.9	176.2	0	0	0	111.5	I80 L264 C287 T290 Y310 T311 R318	I80-I314 HydrophobicContact CD1-CB 4.3Å; I80-I314 HydrophobicContact CD1-CD1 4.22Å; I80-I314 HydrophobicContact CD1-CG2 4.01Å; I80-I314 HydrophobicContact CG1-CG2 4.08Å; I80-I314 HydrophobicContact CG2-CG2 3.88Å; L264-I314 HydrophobicContact CD2-CD1 3.83Å; C287-I314 HydrophobicContact CB-CD1 4.26Å; T290-I314 HydrophobicContact CG2-CG1 4.05Å; T290-I314 WeakPolarHBondContact OG1-CG1 3.37Å; Y310-I314 HydrophobicContact CD1-CD1 3.86Å; Y310-I314 HydrophobicContact CE1-CD1 3.4Å; Y310-I314 VanDerWaalsContact CE1-CD1 3.4Å; Y310-I314 HydrophobicContact CE1-CG1 4.48Å; Y310-I314 WeakPolarHBondContact O-CG1 3.35Å; Y310-I314 PolarHBondContact O-N 3.03Å; Y310-I314 VanDerWaalsContact O-N 3.17Å; T311-I314 PolarHBondContact O-N 3.04Å; I314-R318 WeakPolarHBondContact O-CD 3.36Å; I314-R318 VanDerWaalsContact O-CG 3.24Å; I314-R318 WeakPolarHBondContact O-CG 3.1Å
315	C	90.5	Very high	81.6	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-43.3	176.2	-70.1	0	0	0	0	111.9	A83 T311 N312 E313 R318 A319	A83-C315 HydrophobicContact CB-CB 4.11Å; T311-C315 PolarHBondContact O-N 3.02Å; T311-C315 PolarHBondContact O-SG 2.96Å; T311-C315 VanDerWaalsContact O-SG 3.33Å; N312-C315 PolarHBondContact O-N 3.3Å; E313-C315 PolarHBondContact O-N 2.81Å; C315-R318 PolarHBondContact O-N 2.79Å; C315-A319 PolarHBondContact O-N 2.96Å
316	F	84.7	Confident	80.9	Confident	123 Å²	123	58.4 Å²	58.4	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-43.1	-178.6	177.9	-104.3	0	0	0	112.7	N312 E313 R318 A319 L320	N312-F316 VanDerWaalsContact O-CB 3.27Å; N312-F316 WeakPolarHBondContact O-CB 3.44Å; N312-F316 PolarHBondContact O-N 3.35Å; E313-F316 PolarHBondContact O-N 3.19Å; F316-R318 PolarHBondContact O-N 3.32Å; F316-R318 VanDerWaalsContact O-N 3.1Å; F316-A319 PolarHBondContact O-N 2.96Å; F316-L320 HydrophobicContact CD1-CD1 4.35Å; F316-L320 HydrophobicContact CE1-CD1 3.76Å; F316-L320 HydrophobicContact CZ-CD1 4.05Å; F316-L320 HydrophobicContact CZ-CD2 4.46Å; F316-L320 HydrophobicContact CZ-CG 4.49Å
317	K	79.6	Confident	80	Confident	42 Å²	42	55.8 Å²	55.8	18%	0.183	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-23.2	178.2	-73.5	-173.1	-167	-136.6	0	113.9	D289 E313	D289-K317 HydrophobicContact CB-CD 4.38Å; D289-K317 PolarHBondContact O-NZ 2.96Å; E313-K317 VanDerWaalsContact CD-CE 3.46Å; E313-K317 WeakPolarHBondContact O-CG 3.48Å; E313-K317 PolarHBondContact O-N 3.18Å; E313-K317 WeakPolarHBondContact OE1-CE 3.34Å; E313-K317 IonicContact OE1-NZ 3.78Å; E313-K317 PolarHBondContact OE1-NZ 2.71Å
318	R	67.7	Low	79	Confident	8 Å²	8	59.3 Å²	59.3	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-87.7	-32.8	-176.3	-61.5	169.1	75.3	-155.7	0.7	111.8	I80 A84 L282 V283 I314 C315 F316 L320 E321	I80-R318 PolarHBondContact O-NH1 3.02Å; A84-R318 VanDerWaalsContact CA-NH2 3.34Å; L282-R318 PolarHBondContact O-NE 3.43Å; V283-R318 VanDerWaalsContact CG2-NH2 3.33Å; I314-R318 WeakPolarHBondContact O-CD 3.36Å; I314-R318 VanDerWaalsContact O-CG 3.24Å; I314-R318 WeakPolarHBondContact O-CG 3.1Å; C315-R318 PolarHBondContact O-N 2.79Å; F316-R318 PolarHBondContact O-N 3.32Å; F316-R318 VanDerWaalsContact O-N 3.1Å; R318-L320 PolarHBondContact O-N 3.18Å; R318-E321 PolarHBondContact O-N 3.39Å
319	A	59.5	Low	77.9	Confident	66 Å²	66	61.2 Å²	61.2	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	7.6	167.9	0	0	0	0	0	114	C315 F316	C315-A319 PolarHBondContact O-N 2.96Å; F316-A319 PolarHBondContact O-N 2.96Å
320	L	52.4	Low	76.6	Confident	118 Å²	118	60.5 Å²	60.5	62%	0.618	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	0.6	171.4	-60.5	176.9	0	0	0	112.8	F316 R318	F316-L320 HydrophobicContact CD1-CD1 4.35Å; F316-L320 HydrophobicContact CE1-CD1 3.76Å; F316-L320 HydrophobicContact CZ-CD1 4.05Å; F316-L320 HydrophobicContact CZ-CD2 4.46Å; F316-L320 HydrophobicContact CZ-CG 4.49Å; R318-L320 PolarHBondContact O-N 3.18Å
321	E	50.9	Low	75.1	Confident	96 Å²	96	65.5 Å²	65.5	45%	0.449	34%	0.337	S	S	.	.			trans	-106.4	4.4	172.5	-62.4	-156.3	138.6	0	0	113.1	L282 R285 R318	L282-E321 WeakPolarHBondContact CD1-OE2 3.31Å; R285-E321 WeakPolarHBondContact CD-OE1 3.46Å; R285-E321 IonicContact CZ-OE1 2.81Å; R285-E321 IonicContact CZ-OE2 3.81Å; R285-E321 IonicContact NE-OE1 3.62Å; R285-E321 IonicContact NH1-OE1 3.5Å; R285-E321 PolarHBondContact NH1-OE1 2.99Å; R285-E321 IonicContact NH1-OE2 2.67Å; R285-E321 PolarHBondContact NH1-OE2 2.96Å; R318-E321 PolarHBondContact O-N 3.39Å
322	E	42.3	Very low	73.4	Confident	191 Å²	191	71.1 Å²	71.1	89%	0.893	37%	0.365	S	S	*	.			trans	-108.4	0	176	-64.7	-174	166.6	0	0	112

Retrieved 322 of 322 residues in 108.7 ms (Link to these results)

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