A0A077Z9M8_TRITR Loading...

Small ribosomal subunit protein uS2m

Required for mitoribosome formation and stability, and mitochondrial translation.

AlphaFold DB , UniProt , Accession A0A077Z9M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	37.4	Very low	246 Å²	246	177.5 Å²	177.5	100%	1.212	91%	0.911	S	S	*	*				0	106.3	0	-94.8	173.1	-172.9	0	0	108.2
2	A	39.9	Very low	37.2	Very low	104 Å²	104	171.6 Å²	171.6	86%	0.86	90%	0.897	S	S	*	*			trans	85.3	75.5	-179.5	0	0	0	0	0	117.5
3	L	33.6	Very low	36.8	Very low	176 Å²	176	174.2 Å²	174.2	92%	0.921	90%	0.897	S	S	*	*			trans	-128	97.7	150.9	-98.2	160	0	0	0	105.3
4	S	40.7	Very low	36.4	Very low	119 Å²	119	168.6 Å²	168.6	83%	0.832	88%	0.881	S	S	*	*			trans	162.7	96.2	162.3	41.4	0	0	0	0	110.9
5	L	39.2	Very low	36.2	Very low	165 Å²	165	172.5 Å²	172.5	86%	0.864	88%	0.879	S	S	*	*			trans	-139.9	9	178	-106.6	168.4	0	0	0	116.3
6	W	40.3	Very low	36.2	Very low	256 Å²	256	170.9 Å²	170.9	97%	0.97	87%	0.874	S	S	*	*	S	Bend	trans	-131.6	32.6	-177.4	-91.8	67.1	0	0	0	114.8
7	R	36.9	Very low	36.5	Very low	235 Å²	235	174.4 Å²	174.4	89%	0.887	87%	0.873	S	S	*	*			trans	-135.3	92.3	164.4	-87.9	-173.6	173.1	-156.5	-1.2	108.9
8	N	35.9	Very low	36.4	Very low	159 Å²	159	169.1 Å²	169.1	85%	0.85	87%	0.87	S	S	*	*			trans	178.5	79.8	154.3	-90.7	-19.1	0	0	0	110
9	M	34.1	Very low	36.3	Very low	198 Å²	198	170.5 Å²	170.5	98%	0.975	86%	0.863	S	S	*	*			trans	-134.9	77.3	156	-87	-177.2	71	0	0	107.5
10	S	34.4	Very low	35.9	Very low	116 Å²	116	171.9 Å²	171.9	81%	0.811	87%	0.869	S	S	*	*			trans	-167.3	87.7	157.7	-177.2	0	0	0	0	107.9
11	Q	34.4	Very low	35.9	Very low	179 Å²	179	172.3 Å²	172.3	84%	0.836	86%	0.861	S	S	*	*			trans	-140.2	138.7	156.4	-74.3	-167.3	3.2	0	0	108.3
12	S	33.9	Very low	35.6	Very low	106 Å²	106	169.2 Å²	169.2	74%	0.741	84%	0.843	S	S	*	*			trans	92	77.5	158	-50.1	0	0	0	0	117.6
13	F	32	Very low	35.3	Very low	206 Å²	206	172.7 Å²	172.7	90%	0.904	85%	0.847	S	S	*	*			trans	-134.3	109.6	133.2	-112	-89.3	0	0	0	109.1
14	S	32.1	Very low	35.6	Very low	96 Å²	96	168.5 Å²	168.5	67%	0.671	83%	0.832	S	S	*	*			trans	-101.3	125.9	179.4	157.5	0	0	0	0	108.5
15	W	33.7	Very low	35.6	Very low	226 Å²	226	174.6 Å²	174.6	86%	0.856	84%	0.837	S	S	*	*			trans	-131.5	110.2	157.4	-93.7	79.3	0	0	0	108.5
16	N	35.2	Very low	35.6	Very low	147 Å²	147	172.3 Å²	172.3	79%	0.786	83%	0.833	S	S	*	*			trans	-72.4	120.1	175.6	-102.8	-23.8	0	0	0	110.8
17	R	41.2	Very low	35.9	Very low	230 Å²	230	171.1 Å²	171.1	87%	0.868	83%	0.829	S	S	*	*			trans	-141.1	118.8	140.5	-78.8	-164.2	-167.8	-174.5	4.7	108.9	R19	R17-R19 PolarHBondContact O-N 3.13Å
18	G	34.6	Very low	36.4	Very low	79 Å²	79	169.4 Å²	169.4	81%	0.814	82%	0.822	S	S	*	*			trans	-61.5	130.4	-175.3	0	0	0	0	0	113
19	R	35.7	Very low	37.2	Very low	197 Å²	197	164.7 Å²	164.7	74%	0.743	80%	0.801	S	S	*	*			trans	-153.1	116.3	142.7	-149.9	173	-76.5	-144.2	1.3	107.7	R17 Y21	R17-R19 PolarHBondContact O-N 3.13Å; R19-Y21 HydrophobicContact CB-CD2 4.36Å; R19-Y21 HydrophobicContact CB-CE2 3.9Å; R19-Y21 WeakPolarHBondContact CD-OH 3.46Å; R19-Y21 HydrophobicContact CG-CE2 4.07Å; R19-Y21 PolarHBondContact O-N 3.48Å; R19-Y21 VanDerWaalsContact O-N 3.13Å
20	M	28.5	Very low	38.5	Very low	197 Å²	197	159 Å²	159	97%	0.97	79%	0.786	S	S	*	*			trans	-68.3	103.5	-179.6	-147.1	177.1	175.6	0	0	107.9
21	Y	36	Very low	39.9	Very low	182 Å²	182	158.5 Å²	158.5	71%	0.714	78%	0.778	S	S	*	*			trans	-101.9	123.5	167.5	-73.8	-77.1	0	0	0	108.8	R19 L23	R19-Y21 HydrophobicContact CB-CD2 4.36Å; R19-Y21 HydrophobicContact CB-CE2 3.9Å; R19-Y21 WeakPolarHBondContact CD-OH 3.46Å; R19-Y21 HydrophobicContact CG-CE2 4.07Å; R19-Y21 PolarHBondContact O-N 3.48Å; R19-Y21 VanDerWaalsContact O-N 3.13Å; Y21-L23 PolarHBondContact O-N 3.29Å
22	H	35.9	Very low	40.9	Very low	181 Å²	181	155.8 Å²	155.8	84%	0.838	77%	0.768	S	S	*	*			trans	-48	122.9	171.8	-137.7	-82.6	0	0	0	109.2	S24	H22-S24 PolarHBondContact O-N 2.79Å
23	L	33	Very low	42.3	Very low	177 Å²	177	154.9 Å²	154.9	93%	0.927	75%	0.752	S	S	*	*			trans	-68.6	77.8	167.8	-89.7	143.4	0	0	0	108.3	Y21 R25	Y21-L23 PolarHBondContact O-N 3.29Å; L23-R25 PolarHBondContact O-N 2.71Å
24	S	41	Very low	43.8	Very low	88 Å²	88	147.3 Å²	147.3	62%	0.615	73%	0.725	S	S	*	*			trans	-65.6	121.4	158	54.8	0	0	0	0	106.7	H22 C26	H22-S24 PolarHBondContact O-N 2.79Å; S24-C26 PolarHBondContact O-N 3.36Å
25	R	40.5	Very low	45.4	Very low	247 Å²	247	145.1 Å²	145.1	93%	0.932	71%	0.713	S	S	*	*			trans	-55.1	85.6	170.4	-166.1	176.3	-176.2	-176.2	1.1	108.2	L23 R27	L23-R25 PolarHBondContact O-N 2.71Å; R25-R27 PolarHBondContact O-N 3.14Å
26	C	38.6	Very low	47.1	Very low	116 Å²	116	138.5 Å²	138.5	78%	0.784	70%	0.697	S	S	*	*			trans	-63.7	102.2	175.8	-116.2	0	0	0	0	106.1	S24 R28	S24-C26 PolarHBondContact O-N 3.36Å; C26-R28 PolarHBondContact O-N 2.9Å; C26-R28 VanDerWaalsContact O-N 3.14Å
27	R	47	Very low	48.4	Very low	232 Å²	232	137.2 Å²	137.2	88%	0.875	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-50.7	122.3	160.6	-74.8	-178.2	173.1	-168.5	-2.4	104.9	R25 S29	R25-R27 PolarHBondContact O-N 3.14Å; R27-S29 PolarHBondContact O-N 3.46Å
28	R	46.3	Very low	49.6	Very low	198 Å²	198	130.2 Å²	130.2	75%	0.747	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-46.2	116.5	169	-76	-178.7	175	-175.2	-3	105.6	C26 E33	C26-R28 PolarHBondContact O-N 2.9Å; C26-R28 VanDerWaalsContact O-N 3.14Å; R28-E33 HydrophobicContact CB-CG 4.21Å; R28-E33 WeakPolarHBondContact CD-OE1 3.38Å; R28-E33 IonicContact NH1-OE1 3.73Å
29	S	53.3	Low	51	Low	60 Å²	60	130.1 Å²	130.1	42%	0.42	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-68.6	142.7	178.9	96.4	0	0	0	0	106.2	R27 V31 L32 E33	R27-S29 PolarHBondContact O-N 3.46Å; S29-V31 PolarHBondContact O-N 3.43Å; S29-V31 WeakPolarHBondContact OG-CB 3.39Å; S29-V31 PolarHBondContact OG-N 2.94Å; S29-L32 PolarHBondContact O-N 3.33Å; S29-L32 PolarHBondContact OG-N 2.92Å; S29-E33 PolarHBondContact O-N 3.32Å
30	A	61.4	Low	52.3	Low	79 Å²	79	122.8 Å²	122.8	65%	0.653	63%	0.632	S	S	*	*	H	α-helix	trans	-53.5	-26.8	177.3	0	0	0	0	0	112.5	S34	A30-S34 WeakPolarHBondContact O-CB 3.44Å; A30-S34 PolarHBondContact O-N 2.96Å; A30-S34 PolarHBondContact O-OG 2.76Å
31	V	63.2	Low	53.8	Low	106 Å²	106	119.5 Å²	119.5	64%	0.642	61%	0.614	S	S	*	*	H	α-helix	trans	-63.8	-42.6	175.5	-173.8	0	0	0	0	111.7	S29 S34 A35	S29-V31 PolarHBondContact O-N 3.43Å; S29-V31 WeakPolarHBondContact OG-CB 3.39Å; S29-V31 PolarHBondContact OG-N 2.94Å; V31-S34 WeakPolarHBondContact CA-OG 3.43Å; V31-S34 PolarHBondContact O-N 3.02Å; V31-S34 PolarHBondContact O-OG 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.31Å; V31-A35 PolarHBondContact O-N 2.94Å
32	L	56.8	Low	55	Low	121 Å²	121	116.9 Å²	116.9	63%	0.634	61%	0.608	S	S	*	*	H	α-helix	trans	-74.8	-32.8	-177.3	-140	138.4	0	0	0	111.7	S29 V36	S29-L32 PolarHBondContact O-N 3.33Å; S29-L32 PolarHBondContact OG-N 2.92Å; L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.31Å; L32-V36 PolarHBondContact O-N 3.26Å
33	E	62.7	Low	56.3	Low	87 Å²	87	112 Å²	112	41%	0.407	59%	0.591	S	S	.	*	H	α-helix	trans	-67.9	-44.6	170.4	-75.1	177.8	167.5	0	0	111.3	R28 S29 A35 V36 E37	R28-E33 HydrophobicContact CB-CG 4.21Å; R28-E33 WeakPolarHBondContact CD-OE1 3.38Å; R28-E33 IonicContact NH1-OE1 3.73Å; S29-E33 PolarHBondContact O-N 3.32Å; E33-A35 VanDerWaalsContact C-N 3.31Å; E33-A35 PolarHBondContact O-N 3.36Å; E33-V36 PolarHBondContact O-N 3.37Å; E33-E37 WeakPolarHBondContact O-CG 3.07Å; E33-E37 PolarHBondContact O-N 3.35Å
34	S	63.8	Low	57.6	Low	48 Å²	48	110 Å²	110	34%	0.336	58%	0.575	S	S	.	*	H	α-helix	trans	-62	-36	176	70.3	0	0	0	0	113.2	A30 V31 E37 N38	A30-S34 WeakPolarHBondContact O-CB 3.44Å; A30-S34 PolarHBondContact O-N 2.96Å; A30-S34 PolarHBondContact O-OG 2.76Å; V31-S34 WeakPolarHBondContact CA-OG 3.43Å; V31-S34 PolarHBondContact O-N 3.02Å; V31-S34 PolarHBondContact O-OG 3.29Å; S34-E37 PolarHBondContact O-N 2.99Å; S34-N38 WeakPolarHBondContact O-CB 3.24Å; S34-N38 PolarHBondContact O-N 3.3Å; S34-N38 PolarHBondContact O-ND2 2.91Å; S34-N38 PolarHBondContact O-OD1 3.42Å
35	A	66	Low	58.5	Low	50 Å²	50	108.7 Å²	108.7	41%	0.413	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-40.1	177.5	0	0	0	0	0	112	V31 E33 N38 T39	V31-A35 WeakPolarHBondContact O-CB 3.31Å; V31-A35 PolarHBondContact O-N 2.94Å; E33-A35 VanDerWaalsContact C-N 3.31Å; E33-A35 PolarHBondContact O-N 3.36Å; A35-N38 PolarHBondContact O-N 3.47Å; A35-T39 PolarHBondContact O-N 3.44Å; A35-T39 PolarHBondContact O-OG1 2.98Å
36	V	67.6	Low	59.6	Low	87 Å²	87	101.2 Å²	101.2	53%	0.527	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-39	176.5	173.9	0	0	0	0	111.2	L32 E33 T39 A40	L32-V36 VanDerWaalsContact O-CG2 3.31Å; L32-V36 WeakPolarHBondContact O-CG2 3.31Å; L32-V36 PolarHBondContact O-N 3.26Å; E33-V36 PolarHBondContact O-N 3.37Å; V36-T39 WeakPolarHBondContact CA-OG1 3.45Å; V36-T39 PolarHBondContact O-N 2.67Å; V36-T39 PolarHBondContact O-OG1 3.47Å; V36-A40 WeakPolarHBondContact O-CB 3.13Å; V36-A40 PolarHBondContact O-N 3.35Å
37	E	64.1	Low	60.8	Low	120 Å²	120	102 Å²	102	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-63	-43.3	173.1	-74.2	176.7	176.9	0	0	111.6	E33 S34 A40 Q41	E33-E37 WeakPolarHBondContact O-CG 3.07Å; E33-E37 PolarHBondContact O-N 3.35Å; S34-E37 PolarHBondContact O-N 2.99Å; E37-A40 PolarHBondContact O-N 2.93Å; E37-Q41 WeakPolarHBondContact O-CB 3.44Å; E37-Q41 VanDerWaalsContact O-CG 3.29Å; E37-Q41 WeakPolarHBondContact O-CG 3.32Å; E37-Q41 PolarHBondContact O-N 2.88Å
38	N	65.7	Low	61.7	Low	83 Å²	83	96 Å²	96	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-44.7	174.9	-69.3	-12.5	0	0	0	111.6	S34 A35 A40 Q41 E42	S34-N38 WeakPolarHBondContact O-CB 3.24Å; S34-N38 PolarHBondContact O-N 3.3Å; S34-N38 PolarHBondContact O-ND2 2.91Å; S34-N38 PolarHBondContact O-OD1 3.42Å; A35-N38 PolarHBondContact O-N 3.47Å; N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 3.23Å; N38-Q41 PolarHBondContact O-N 3.33Å; N38-E42 WeakPolarHBondContact O-CB 3.4Å; N38-E42 VanDerWaalsContact O-CG 3.31Å; N38-E42 WeakPolarHBondContact O-CG 3.49Å; N38-E42 PolarHBondContact O-N 3.32Å
39	T	63.7	Low	62.8	Low	76 Å²	76	87 Å²	87	47%	0.466	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-39.8	177.2	3.7	0	0	0	0	111.4	A35 V36 E42 T43	A35-T39 PolarHBondContact O-N 3.44Å; A35-T39 PolarHBondContact O-OG1 2.98Å; V36-T39 WeakPolarHBondContact CA-OG1 3.45Å; V36-T39 PolarHBondContact O-N 2.67Å; V36-T39 PolarHBondContact O-OG1 3.47Å; T39-E42 PolarHBondContact O-N 3.44Å; T39-T43 WeakPolarHBondContact O-CG2 3.4Å; T39-T43 PolarHBondContact O-N 3.15Å; T39-T43 PolarHBondContact O-OG1 3.41Å
40	A	63.8	Low	63.8	Low	44 Å²	44	88.9 Å²	88.9	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-36.5	177.5	0	0	0	0	0	112.7	V36 E37 N38 T43 K44	V36-A40 WeakPolarHBondContact O-CB 3.13Å; V36-A40 PolarHBondContact O-N 3.35Å; E37-A40 PolarHBondContact O-N 2.93Å; N38-A40 VanDerWaalsContact C-N 3.33Å; N38-A40 PolarHBondContact O-N 3.23Å; A40-T43 WeakPolarHBondContact CA-OG1 3.42Å; A40-T43 PolarHBondContact O-OG1 3.32Å; A40-K44 WeakPolarHBondContact O-CG 3.37Å; A40-K44 PolarHBondContact O-N 2.92Å
41	Q	59.6	Low	64.6	Low	127 Å²	127	88.6 Å²	88.6	59%	0.593	50%	0.496	S	S	*	.	H	α-helix	trans	-66.8	-43.4	173.5	-75	176.4	-3.3	0	0	111.4	E37 N38 K44 A45	E37-Q41 WeakPolarHBondContact O-CB 3.44Å; E37-Q41 VanDerWaalsContact O-CG 3.29Å; E37-Q41 WeakPolarHBondContact O-CG 3.32Å; E37-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 PolarHBondContact O-N 3.33Å; Q41-K44 PolarHBondContact O-N 3.09Å; Q41-A45 WeakPolarHBondContact O-CB 3.41Å; Q41-A45 PolarHBondContact O-N 3.41Å
42	E	60.8	Low	65.5	Low	127 Å²	127	86.8 Å²	86.8	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-60.5	-45.4	173.8	-74.5	172.2	-177.5	0	0	111.3	N38 T39 K44 A45 V46	N38-E42 WeakPolarHBondContact O-CB 3.4Å; N38-E42 VanDerWaalsContact O-CG 3.31Å; N38-E42 WeakPolarHBondContact O-CG 3.49Å; N38-E42 PolarHBondContact O-N 3.32Å; T39-E42 PolarHBondContact O-N 3.44Å; E42-K44 PolarHBondContact O-N 3.49Å; E42-A45 PolarHBondContact O-N 2.89Å; E42-V46 VanDerWaalsContact O-CG2 3.23Å; E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 2.88Å
43	T	63.2	Low	66.9	Low	78 Å²	78	83.1 Å²	83.1	48%	0.479	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-41.1	177.5	51.9	0	0	0	0	112.5	T39 A40 V46 E47	T39-T43 WeakPolarHBondContact O-CG2 3.4Å; T39-T43 PolarHBondContact O-N 3.15Å; T39-T43 PolarHBondContact O-OG1 3.41Å; A40-T43 WeakPolarHBondContact CA-OG1 3.42Å; A40-T43 PolarHBondContact O-OG1 3.32Å; T43-V46 PolarHBondContact O-N 3.44Å; T43-E47 WeakPolarHBondContact O-CG 3.31Å; T43-E47 PolarHBondContact O-N 2.88Å
44	K	60.8	Low	68.1	Low	135 Å²	135	82 Å²	82	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-65.6	-43.1	176.9	-76.5	-178.8	178.3	-174.9	0	111.8	A40 Q41 E42 V46 E47 D48	A40-K44 WeakPolarHBondContact O-CG 3.37Å; A40-K44 PolarHBondContact O-N 2.92Å; Q41-K44 PolarHBondContact O-N 3.09Å; E42-K44 PolarHBondContact O-N 3.49Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 3.29Å; K44-E47 PolarHBondContact O-N 3.03Å; K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.26Å; K44-D48 PolarHBondContact O-N 2.91Å
45	A	60.6	Low	69.2	Low	62 Å²	62	82 Å²	82	51%	0.512	47%	0.465	S	S	.	.	H	α-helix	trans	-62.8	-35.2	177	0	0	0	0	0	112.3	Q41 E42 G49	Q41-A45 WeakPolarHBondContact O-CB 3.41Å; Q41-A45 PolarHBondContact O-N 3.41Å; E42-A45 PolarHBondContact O-N 2.89Å; A45-G49 PolarHBondContact O-N 3.3Å
46	V	62.8	Low	70.3	Confident	89 Å²	89	79.7 Å²	79.7	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-41.1	174.6	172.9	0	0	0	0	111.5	E42 T43 K44 N50	E42-V46 VanDerWaalsContact O-CG2 3.23Å; E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 2.88Å; T43-V46 PolarHBondContact O-N 3.44Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 3.29Å; V46-N50 WeakPolarHBondContact O-CB 3.16Å; V46-N50 PolarHBondContact O-N 3.22Å
47	E	64.7	Low	71.4	Confident	134 Å²	134	80.5 Å²	80.5	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-65	-46.1	175.2	-73.7	178.5	177.2	0	0	111.9	T43 K44 N50 S51	T43-E47 WeakPolarHBondContact O-CG 3.31Å; T43-E47 PolarHBondContact O-N 2.88Å; K44-E47 PolarHBondContact O-N 3.03Å; E47-N50 PolarHBondContact O-N 2.69Å; E47-S51 PolarHBondContact O-N 2.62Å
48	D	64.9	Low	72.7	Confident	106 Å²	106	81.9 Å²	81.9	57%	0.567	46%	0.457	S	S	*	.	H	α-helix	trans	-63.1	-44.3	176.4	-69.7	-24.6	0	0	0	110.8	K44 N50 S51 M52	K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.26Å; K44-D48 PolarHBondContact O-N 2.91Å; D48-N50 PolarHBondContact O-N 2.78Å; D48-S51 WeakPolarHBondContact O-CB 3.46Å; D48-S51 PolarHBondContact O-N 3.24Å; D48-M52 WeakPolarHBondContact O-CG 3.43Å; D48-M52 PolarHBondContact O-N 3.32Å
49	G	68.9	Low	73.9	Confident	7 Å²	7	83.1 Å²	83.1	7%	0.072	46%	0.46	C	S	.	.	H	α-helix	trans	-61	-44.9	175.9	0	0	0	0	0	112.5	A45 S51 M52 F53	A45-G49 PolarHBondContact O-N 3.3Å; G49-S51 VanDerWaalsContact C-N 3.32Å; G49-S51 PolarHBondContact O-N 3.01Å; G49-M52 PolarHBondContact O-N 2.84Å; G49-F53 WeakPolarHBondContact O-CD2 3.35Å; G49-F53 VanDerWaalsContact O-CG 3.27Å; G49-F53 WeakPolarHBondContact O-CG 3.29Å; G49-F53 PolarHBondContact O-N 2.63Å
50	N	75	Confident	75.1	Confident	100 Å²	100	85.3 Å²	85.3	54%	0.535	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-38.6	175.4	-81.6	-14.1	0	0	0	112.2	V46 E47 D48 F53 S54	V46-N50 WeakPolarHBondContact O-CB 3.16Å; V46-N50 PolarHBondContact O-N 3.22Å; E47-N50 PolarHBondContact O-N 2.69Å; D48-N50 PolarHBondContact O-N 2.78Å; N50-F53 PolarHBondContact O-N 2.95Å; N50-S54 WeakPolarHBondContact O-CB 3.42Å; N50-S54 PolarHBondContact O-N 3.4Å; N50-S54 PolarHBondContact O-OG 2.87Å
51	S	77.7	Confident	76.4	Confident	74 Å²	74	84.8 Å²	84.8	52%	0.517	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-48	173.1	-175.5	0	0	0	0	111.1	E47 D48 G49 F53 S54 A55	E47-S51 PolarHBondContact O-N 2.62Å; D48-S51 WeakPolarHBondContact O-CB 3.46Å; D48-S51 PolarHBondContact O-N 3.24Å; G49-S51 VanDerWaalsContact C-N 3.32Å; G49-S51 PolarHBondContact O-N 3.01Å; S51-F53 PolarHBondContact O-N 3.44Å; S51-S54 PolarHBondContact O-N 3.08Å; S51-S54 PolarHBondContact O-OG 2.99Å; S51-A55 PolarHBondContact O-N 3.36Å
52	M	81.5	Confident	78	Confident	67 Å²	67	80.5 Å²	80.5	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-42	177.7	-65.6	-170.7	84.3	0	0	112.7	D48 G49 S54 A55 S56 D257 L259	D48-M52 WeakPolarHBondContact O-CG 3.43Å; D48-M52 PolarHBondContact O-N 3.32Å; G49-M52 PolarHBondContact O-N 2.84Å; M52-S54 VanDerWaalsContact C-N 3.3Å; M52-S54 PolarHBondContact O-N 3.4Å; M52-A55 PolarHBondContact O-N 3.24Å; M52-S56 PolarHBondContact O-N 3.04Å; M52-D257 HydrophobicContact CE-CB 3.67Å; M52-L259 HydrophobicContact SD-CD2 4.07Å; M52-L259 HydrophobicContact SD-CG 4.39Å
53	F	86.4	Confident	79.6	Confident	44 Å²	44	75 Å²	75	19%	0.193	42%	0.42	C	S	.	.	H	α-helix	trans	-62.6	-39.1	175.2	-65.2	-45.3	0	0	0	111.9	G49 N50 S51 S56 Y127 R128 L259	G49-F53 WeakPolarHBondContact O-CD2 3.35Å; G49-F53 VanDerWaalsContact O-CG 3.27Å; G49-F53 WeakPolarHBondContact O-CG 3.29Å; G49-F53 PolarHBondContact O-N 2.63Å; N50-F53 PolarHBondContact O-N 2.95Å; S51-F53 PolarHBondContact O-N 3.44Å; F53-S56 PolarHBondContact O-N 3.11Å; F53-S56 PolarHBondContact O-OG 3.26Å; F53-Y127 AromaticContact CD1-CD1 3.87Å; F53-Y127 HydrophobicContact CD1-CD1 3.87Å; F53-Y127 AromaticContact CD1-CE1 3.55Å; F53-Y127 HydrophobicContact CD1-CE1 3.55Å; F53-Y127 AromaticContact CE1-CD1 3.94Å; F53-Y127 HydrophobicContact CE1-CD1 3.94Å; F53-Y127 AromaticContact CE1-CE1 3.74Å; F53-Y127 HydrophobicContact CE1-CE1 3.74Å; F53-R128 HydrophobicContact CD1-CG 3.86Å; F53-R128 HydrophobicContact CE1-CG 3.9Å; F53-R128 HydrophobicContact CG-CG 4.5Å; F53-L259 HydrophobicContact CE1-CD1 3.9Å; F53-L259 HydrophobicContact CZ-CD1 4.25Å
54	S	87.5	Confident	81	Confident	65 Å²	65	76.6 Å²	76.6	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-66.5	-40.2	176	74.9	0	0	0	0	111.9	N50 S51 M52 S56 L57	N50-S54 WeakPolarHBondContact O-CB 3.42Å; N50-S54 PolarHBondContact O-N 3.4Å; N50-S54 PolarHBondContact O-OG 2.87Å; S51-S54 PolarHBondContact O-N 3.08Å; S51-S54 PolarHBondContact O-OG 2.99Å; M52-S54 VanDerWaalsContact C-N 3.3Å; M52-S54 PolarHBondContact O-N 3.4Å; S54-S56 VanDerWaalsContact C-N 3.34Å; S54-S56 PolarHBondContact O-N 3.31Å; S54-L57 PolarHBondContact O-N 3.29Å
55	A	87.6	Confident	82.6	Confident	48 Å²	48	70.2 Å²	70.2	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.2	0	0	0	0	0	111.9	S51 M52 L57 L58	S51-A55 PolarHBondContact O-N 3.36Å; M52-A55 PolarHBondContact O-N 3.24Å; A55-L57 PolarHBondContact O-N 2.99Å; A55-L57 VanDerWaalsContact O-N 3.16Å; A55-L58 PolarHBondContact O-N 3.01Å; A55-L58 VanDerWaalsContact O-N 3.14Å
56	S	89.4	Confident	84	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-59.8	-27	177.5	76.3	0	0	0	0	113.5	M52 F53 S54 H124	M52-S56 PolarHBondContact O-N 3.04Å; F53-S56 PolarHBondContact O-N 3.11Å; F53-S56 PolarHBondContact O-OG 3.26Å; S54-S56 VanDerWaalsContact C-N 3.34Å; S54-S56 PolarHBondContact O-N 3.31Å; S56-H124 PolarHBondContact O-CE1 3.2Å; S56-H124 VanDerWaalsContact O-CE1 3.29Å
57	L	90.9	Very high	85.4	Confident	104 Å²	104	71.8 Å²	71.8	55%	0.545	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.7	-178.5	-68.2	176.4	0	0	0	113.7	S54 A55 R128	S54-L57 PolarHBondContact O-N 3.29Å; A55-L57 PolarHBondContact O-N 2.99Å; A55-L57 VanDerWaalsContact O-N 3.16Å; L57-R128 VanDerWaalsContact CD2-NH2 3.33Å; L57-R128 VanDerWaalsContact CG-NH2 3.34Å
58	L	91.4	Very high	86.8	Confident	149 Å²	149	66.8 Å²	66.8	78%	0.78	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-29.8	-178.9	-64.5	174.5	0	0	0	112.1	A55	A55-L58 PolarHBondContact O-N 3.01Å; A55-L58 VanDerWaalsContact O-N 3.14Å
59	E	90.4	Very high	88.2	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.514	35%	0.35	S	S	.	.	S	Bend	trans	-88.2	125.5	178.6	-68.1	-177.9	-170.1	0	0	110.5	D61 Y62	E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.37Å; E59-Y62 HydrophobicContact CB-CD2 4.16Å; E59-Y62 HydrophobicContact CG-CD2 4.49Å; E59-Y62 WeakPolarHBondContact OE2-CD2 3.26Å
60	P	89	Confident	89.5	Confident	121 Å²	121	64.6 Å²	64.6	79%	0.786	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.6	-174.4	25.4	-34.2	0	0	0	113.7	N120	P60-N120 PolarHBondContact O-ND2 3.03Å
61	D	91.2	Very high	90.6	Very high	34 Å²	34	62.1 Å²	62.1	18%	0.182	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	60.5	177.3	-169.1	13.2	0	0	0	111.3	E59 F63 N64 L65 S66	E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.37Å; D61-F63 PolarHBondContact O-N 2.91Å; D61-N64 PolarHBondContact O-N 3.46Å; D61-N64 VanDerWaalsContact O-N 3.14Å; D61-N64 PolarHBondContact O-OD1 2.91Å; D61-N64 WeakPolarHBondContact OD1-CA 2.91Å; D61-N64 PolarHBondContact OD1-N 3.35Å; D61-N64 WeakPolarHBondContact OD2-CA 3.32Å; D61-L65 PolarHBondContact OD1-N 3.2Å; D61-L65 PolarHBondContact OD2-N 2.99Å; D61-L65 VanDerWaalsContact OD2-N 3.15Å; D61-S66 WeakPolarHBondContact OD2-CB 3.36Å; D61-S66 PolarHBondContact OD2-N 3.14Å; D61-S66 PolarHBondContact OD2-OG 3.35Å
62	Y	93.2	Very high	91.5	Very high	36 Å²	36	65.3 Å²	65.3	14%	0.141	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	-177.7	-172.3	-107.9	0	0	0	114.4	E59 K253 D257	E59-Y62 HydrophobicContact CB-CD2 4.16Å; E59-Y62 HydrophobicContact CG-CD2 4.49Å; E59-Y62 WeakPolarHBondContact OE2-CD2 3.26Å; Y62-K253 HydrophobicContact CD1-CG 4.48Å; Y62-K253 HydrophobicContact CE1-CD 4.19Å; Y62-K253 HydrophobicContact CE1-CG 3.71Å; Y62-K253 WeakPolarHBondContact OH-CE 3.15Å; Y62-D257 PolarHBondContact OH-OD2 3.36Å
63	F	94.4	Very high	92.3	Very high	13 Å²	13	65.2 Å²	65.2	6%	0.057	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8.5	-176.7	-53.3	-76.3	0	0	0	113.9	D61 L65 A123 H124 Y127 R249 K253	D61-F63 PolarHBondContact O-N 2.91Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 HydrophobicContact CB-CD1 4.06Å; F63-L65 HydrophobicContact CB-CG 3.92Å; F63-L65 PolarHBondContact O-N 2.83Å; F63-A123 HydrophobicContact CB-CB 4.4Å; F63-A123 HydrophobicContact CD1-CB 4.37Å; F63-A123 HydrophobicContact CD2-CB 3.38Å; F63-A123 HydrophobicContact CE2-CB 3.55Å; F63-A123 HydrophobicContact CG-CB 3.81Å; F63-A123 HydrophobicContact CZ-CB 4.14Å; F63-H124 HydrophobicContact CE2-CB 4.4Å; F63-H124 AromaticContact CE2-CD2 3.84Å; F63-H124 AromaticContact CE2-CE1 3.58Å; F63-H124 AromaticContact CE2-CG 3.68Å; F63-H124 AromaticContact CE2-ND1 3.53Å; F63-H124 AromaticContact CE2-NE2 3.79Å; F63-H124 AromaticContact CZ-ND1 3.79Å; F63-Y127 HydrophobicContact CE1-CD2 4.29Å; F63-Y127 HydrophobicContact CE1-CG 4.31Å; F63-Y127 HydrophobicContact CZ-CG 4.18Å; F63-R249 PolarHBondContact O-NH1 3.03Å; F63-R249 VanDerWaalsContact O-NH1 3.1Å; F63-K253 HydrophobicContact CD1-CB 4.25Å; F63-K253 HydrophobicContact CD1-CG 4.35Å; F63-K253 HydrophobicContact CE1-CB 4.09Å; F63-K253 HydrophobicContact CE1-CG 4.1Å
64	N	93.8	Very high	92.8	Very high	110 Å²	110	63.1 Å²	63.1	59%	0.588	35%	0.351	S	S	*	.			trans	50.6	43.4	-178	-63.5	-16.9	0	0	0	113.3	D61 R249	D61-N64 PolarHBondContact O-N 3.46Å; D61-N64 VanDerWaalsContact O-N 3.14Å; D61-N64 PolarHBondContact O-OD1 2.91Å; D61-N64 WeakPolarHBondContact OD1-CA 2.91Å; D61-N64 PolarHBondContact OD1-N 3.35Å; D61-N64 WeakPolarHBondContact OD2-CA 3.32Å; N64-R249 VanDerWaalsContact C-NH1 3.31Å; N64-R249 PolarHBondContact O-NH1 3.17Å
65	L	93.4	Very high	93.3	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	35%	0.353	C	S	.	.			trans	-78.6	-20.4	-177	-67.4	167.2	0	0	0	112.7	D61 F63 D67 T68 L116 L119 N120 A123 A246	D61-L65 PolarHBondContact OD1-N 3.2Å; D61-L65 PolarHBondContact OD2-N 2.99Å; D61-L65 VanDerWaalsContact OD2-N 3.15Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 HydrophobicContact CB-CD1 4.06Å; F63-L65 HydrophobicContact CB-CG 3.92Å; F63-L65 PolarHBondContact O-N 2.83Å; L65-D67 PolarHBondContact O-N 3.46Å; L65-T68 HydrophobicContact CD2-CG2 4.31Å; L65-T68 WeakPolarHBondContact O-CB 3.38Å; L65-T68 WeakPolarHBondContact O-CG2 3.34Å; L65-T68 PolarHBondContact O-N 3.27Å; L65-T68 PolarHBondContact O-OG1 3.16Å; L65-L116 HydrophobicContact CB-CD1 4.02Å; L65-L119 HydrophobicContact CD1-CB 4.11Å; L65-N120 HydrophobicContact CD1-CB 4.49Å; L65-A123 HydrophobicContact CD1-CB 3.96Å; L65-A246 HydrophobicContact CD2-CB 4.12Å
66	S	90.9	Very high	93.8	Very high	38 Å²	38	67.8 Å²	67.8	27%	0.266	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-57.6	-33.6	-179.5	51.2	0	0	0	0	114.1	D61 T68	D61-S66 WeakPolarHBondContact OD2-CB 3.36Å; D61-S66 PolarHBondContact OD2-N 3.14Å; D61-S66 PolarHBondContact OD2-OG 3.35Å; S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.02Å
67	D	91.2	Very high	94.1	Very high	146 Å²	146	68.1 Å²	68.1	78%	0.781	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-83.1	-1.4	-180	-66.2	-27.9	0	0	0	113.7	L65	L65-D67 PolarHBondContact O-N 3.46Å
68	T	93.3	Very high	94.4	Very high	30 Å²	30	69.7 Å²	69.7	18%	0.184	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-78.1	-23	-172.5	58.9	0	0	0	0	114.3	L65 S66 L245 R249	L65-T68 HydrophobicContact CD2-CG2 4.31Å; L65-T68 WeakPolarHBondContact O-CB 3.38Å; L65-T68 WeakPolarHBondContact O-CG2 3.34Å; L65-T68 PolarHBondContact O-N 3.27Å; L65-T68 PolarHBondContact O-OG1 3.16Å; S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.02Å; T68-L245 HydrophobicContact CG2-CD2 3.52Å; T68-R249 VanDerWaalsContact CG2-CZ 3.5Å; T68-R249 VanDerWaalsContact CG2-NH1 3.25Å
69	F	95.4	Very high	94.7	Very high	7 Å²	7	62.6 Å²	62.6	3%	0.031	32%	0.324	C	S	.	.			trans	-152.8	145.5	177.7	63	-81.4	0	0	0	111.7	L74 R112 L115 L116 L119 F238 L242	F69-L74 HydrophobicContact CD2-CD1 4.19Å; F69-L74 HydrophobicContact CD2-CD2 4.31Å; F69-L74 HydrophobicContact CD2-CG 4.15Å; F69-L74 HydrophobicContact CE2-CD1 4.19Å; F69-R112 HydrophobicContact CE2-CB 4.2Å; F69-R112 HydrophobicContact CE2-CG 3.77Å; F69-R112 HydrophobicContact CZ-CG 4.37Å; F69-L115 HydrophobicContact CD2-CD2 4.19Å; F69-L115 HydrophobicContact CE1-CD2 4.26Å; F69-L115 HydrophobicContact CE1-CG 4.22Å; F69-L115 HydrophobicContact CE2-CB 4.41Å; F69-L115 HydrophobicContact CE2-CD2 3.66Å; F69-L115 HydrophobicContact CE2-CG 4.16Å; F69-L115 HydrophobicContact CZ-CB 4.07Å; F69-L115 HydrophobicContact CZ-CD2 3.72Å; F69-L115 HydrophobicContact CZ-CG 3.73Å; F69-L116 HydrophobicContact CZ-CB 4.42Å; F69-L119 HydrophobicContact CD1-CD1 4.26Å; F69-L119 HydrophobicContact CE1-CD1 3.57Å; F69-L119 HydrophobicContact CZ-CD1 4.34Å; F69-F238 HydrophobicContact CB-CZ 3.92Å; F69-F238 HydrophobicContact CG-CZ 4.44Å; F69-L242 HydrophobicContact CB-CD1 4.45Å; F69-L242 HydrophobicContact CB-CD2 4.29Å; F69-L242 HydrophobicContact CD1-CD1 3.91Å; F69-L242 HydrophobicContact CD1-CD2 3.98Å; F69-L242 HydrophobicContact CE1-CD1 4.43Å; F69-L242 HydrophobicContact CG-CD1 4.14Å; F69-L242 HydrophobicContact CG-CD2 4.47Å
70	S	96.5	Very high	95.1	Very high	60 Å²	60	58.4 Å²	58.4	42%	0.42	30%	0.304	S	S	.	.			trans	-100.3	162.9	172.5	179.4	0	0	0	0	111.4	K72 D73 L74	S70-K72 PolarHBondContact O-N 3.11Å; S70-K72 PolarHBondContact OG-N 2.85Å; S70-D73 PolarHBondContact N-OD2 2.94Å; S70-D73 PolarHBondContact O-N 2.86Å; S70-L74 PolarHBondContact O-N 3.17Å
71	V	97.1	Very high	95.5	Very high	47 Å²	47	57 Å²	57	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-33.9	167.9	179.6	0	0	0	0	110.7	D73 L74 F75 L108	V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.82Å; V71-L74 WeakPolarHBondContact O-CB 3.39Å; V71-L74 PolarHBondContact O-N 2.87Å; V71-F75 PolarHBondContact O-N 2.82Å; V71-L108 HydrophobicContact CG1-CB 3.95Å; V71-L108 HydrophobicContact CG1-CD1 4.31Å
72	K	97.4	Very high	95.7	Very high	142 Å²	142	55.9 Å²	55.9	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-60.1	-42.7	174.3	-173.2	-173.7	172.8	-167.5	0	111.7	S70 L74 F75 D76	S70-K72 PolarHBondContact O-N 3.11Å; S70-K72 PolarHBondContact OG-N 2.85Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.45Å; K72-F75 WeakPolarHBondContact O-CB 3.23Å; K72-F75 PolarHBondContact O-N 3.02Å; K72-F75 VanDerWaalsContact O-N 3.16Å; K72-D76 PolarHBondContact O-N 2.89Å
73	D	97.5	Very high	95.8	Very high	64 Å²	64	56.2 Å²	56.2	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-36.6	-179	-53.1	-33.8	0	0	0	111.1	S70 V71 F75 D76 A77 F238	S70-D73 PolarHBondContact N-OD2 2.94Å; S70-D73 PolarHBondContact O-N 2.86Å; V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.82Å; D73-F75 VanDerWaalsContact C-N 3.32Å; D73-D76 PolarHBondContact O-N 3.42Å; D73-A77 WeakPolarHBondContact O-CB 3.37Å; D73-A77 PolarHBondContact O-N 3.01Å; D73-F238 HydrophobicContact CB-CE2 4.04Å; D73-F238 HydrophobicContact CB-CZ 4.33Å
74	L	97.4	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-40	172.1	-66.6	172.6	0	0	0	111.9	F69 S70 V71 K72 R78 V79 L108 T111 R112 L115 F238	F69-L74 HydrophobicContact CD2-CD1 4.19Å; F69-L74 HydrophobicContact CD2-CD2 4.31Å; F69-L74 HydrophobicContact CD2-CG 4.15Å; F69-L74 HydrophobicContact CE2-CD1 4.19Å; S70-L74 PolarHBondContact O-N 3.17Å; V71-L74 WeakPolarHBondContact O-CB 3.39Å; V71-L74 PolarHBondContact O-N 2.87Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.45Å; L74-R78 PolarHBondContact O-N 2.85Å; L74-V79 HydrophobicContact CB-CB 4.41Å; L74-V79 HydrophobicContact CD2-CB 4.47Å; L74-V79 HydrophobicContact CD2-CG1 4.4Å; L74-V79 HydrophobicContact CD2-CG2 4.12Å; L74-V79 WeakPolarHBondContact O-CB 3.34Å; L74-V79 PolarHBondContact O-N 3.23Å; L74-V79 VanDerWaalsContact O-N 3.13Å; L74-L108 HydrophobicContact CB-CD1 4.3Å; L74-L108 HydrophobicContact CB-CD2 4.05Å; L74-T111 HydrophobicContact CD1-CG2 4.43Å; L74-R112 HydrophobicContact CD1-CB 3.83Å; L74-L115 HydrophobicContact CD2-CD2 3.89Å; L74-F238 HydrophobicContact CD2-CD1 4.41Å; L74-F238 HydrophobicContact CD2-CE1 3.46Å; L74-F238 VanDerWaalsContact CD2-CE1 3.46Å; L74-F238 HydrophobicContact CD2-CZ 3.93Å
75	F	97.6	Very high	96.1	Very high	114 Å²	114	60.4 Å²	60.4	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-49.6	176.5	-175.3	-92	0	0	0	111.3	V71 K72 D73 A77 R78 H80 L108	V71-F75 PolarHBondContact O-N 2.82Å; K72-F75 WeakPolarHBondContact O-CB 3.23Å; K72-F75 PolarHBondContact O-N 3.02Å; K72-F75 VanDerWaalsContact O-N 3.16Å; D73-F75 VanDerWaalsContact C-N 3.32Å; F75-A77 VanDerWaalsContact C-N 3.27Å; F75-A77 PolarHBondContact O-N 3.26Å; F75-R78 PolarHBondContact O-N 3.44Å; F75-H80 AromaticContact CD2-CE1 3.71Å; F75-H80 AromaticContact CD2-ND1 3.7Å; F75-H80 AromaticContact CE2-CE1 3.68Å; F75-H80 AromaticContact CE2-NE2 3.88Å; F75-H80 PolarHBondContact O-CE1 3.42Å; F75-H80 PolarHBondContact O-ND1 3.45Å; F75-L108 HydrophobicContact CB-CD1 3.87Å; F75-L108 HydrophobicContact CD2-CD1 4.15Å
76	D	97.6	Very high	96.2	Very high	98 Å²	98	64.2 Å²	64.2	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-33.9	179.2	-69.5	-19.8	0	0	0	111.7	K72 D73 R78	K72-D76 PolarHBondContact O-N 2.89Å; D73-D76 PolarHBondContact O-N 3.42Å; D76-R78 PolarHBondContact O-N 2.94Å
77	A	97.4	Very high	96.4	Very high	7 Å²	7	65.8 Å²	65.8	6%	0.058	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	4.1	174.6	0	0	0	0	0	114.5	D73 F75 V79 S235 F238	D73-A77 WeakPolarHBondContact O-CB 3.37Å; D73-A77 PolarHBondContact O-N 3.01Å; F75-A77 VanDerWaalsContact C-N 3.27Å; F75-A77 PolarHBondContact O-N 3.26Å; A77-V79 HydrophobicContact CB-CG2 4.08Å; A77-V79 PolarHBondContact O-N 2.96Å; A77-S235 WeakPolarHBondContact O-CA 3.25Å; A77-S235 PolarHBondContact O-N 3.12Å; A77-F238 HydrophobicContact CB-CB 3.9Å; A77-F238 HydrophobicContact CB-CD1 4.2Å; A77-F238 HydrophobicContact CB-CD2 3.95Å; A77-F238 HydrophobicContact CB-CG 3.75Å
78	R	97.3	Very high	96.6	Very high	136 Å²	136	60.7 Å²	60.7	51%	0.513	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	26.8	177.7	-57.9	-174	-173.5	179.1	1.9	114.3	L74 F75 D76 H80 F81 N229	L74-R78 PolarHBondContact O-N 2.85Å; F75-R78 PolarHBondContact O-N 3.44Å; D76-R78 PolarHBondContact O-N 2.94Å; R78-H80 PolarHBondContact O-N 2.92Å; R78-F81 HydrophobicContact CB-CD2 3.85Å; R78-F81 HydrophobicContact CB-CE2 4.09Å; R78-F81 HydrophobicContact CG-CD2 4.44Å; R78-F81 HydrophobicContact CG-CE2 4.19Å; R78-N229 WeakPolarHBondContact O-CB 3.43Å; R78-N229 PolarHBondContact O-ND2 3.05Å
79	V	97.5	Very high	96.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.7	-179.1	171.2	0	0	0	0	112.7	L74 A77 F81 L108 T111 N229 Y239	L74-V79 HydrophobicContact CB-CB 4.41Å; L74-V79 HydrophobicContact CD2-CB 4.47Å; L74-V79 HydrophobicContact CD2-CG1 4.4Å; L74-V79 HydrophobicContact CD2-CG2 4.12Å; L74-V79 WeakPolarHBondContact O-CB 3.34Å; L74-V79 PolarHBondContact O-N 3.23Å; L74-V79 VanDerWaalsContact O-N 3.13Å; A77-V79 HydrophobicContact CB-CG2 4.08Å; A77-V79 PolarHBondContact O-N 2.96Å; V79-F81 VanDerWaalsContact C-N 3.28Å; V79-F81 PolarHBondContact O-N 3.5Å; V79-L108 HydrophobicContact CB-CD2 4.17Å; V79-L108 HydrophobicContact CG1-CD2 4Å; V79-T111 HydrophobicContact CG1-CG2 3.78Å; V79-N229 PolarHBondContact O-N 3.1Å; V79-Y239 WeakPolarHBondContact CG1-OH 3.41Å; V79-Y239 HydrophobicContact CG2-CE1 4.4Å
80	H	97.5	Very high	96.7	Very high	23 Å²	23	66.4 Å²	66.4	11%	0.106	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.5	-175.4	58.3	-84.2	0	0	0	114.7	F75 R78 I105 F106 L108	F75-H80 AromaticContact CD2-CE1 3.71Å; F75-H80 AromaticContact CD2-ND1 3.7Å; F75-H80 AromaticContact CE2-CE1 3.68Å; F75-H80 AromaticContact CE2-NE2 3.88Å; F75-H80 PolarHBondContact O-CE1 3.42Å; F75-H80 PolarHBondContact O-ND1 3.45Å; R78-H80 PolarHBondContact O-N 2.92Å; H80-I105 HydrophobicContact CB-CG2 4.43Å; H80-I105 CarbonylContact O-C 3.48Å; H80-I105 VanDerWaalsContact O-CA 3.3Å; H80-I105 WeakPolarHBondContact O-CA 3.47Å; H80-F106 PolarHBondContact O-N 3.45Å; H80-L108 HydrophobicContact CB-CD1 4.1Å; H80-L108 HydrophobicContact CB-CD2 3.84Å; H80-L108 HydrophobicContact CB-CG 3.97Å
81	F	97	Very high	96.7	Very high	91 Å²	91	69.6 Å²	69.6	40%	0.399	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.6	178.3	-68.3	-71.9	0	0	0	110.8	R78 V79 N229	R78-F81 HydrophobicContact CB-CD2 3.85Å; R78-F81 HydrophobicContact CB-CE2 4.09Å; R78-F81 HydrophobicContact CG-CD2 4.44Å; R78-F81 HydrophobicContact CG-CE2 4.19Å; V79-F81 VanDerWaalsContact C-N 3.28Å; V79-F81 PolarHBondContact O-N 3.5Å; F81-N229 VanDerWaalsContact O-CB 3.25Å; F81-N229 WeakPolarHBondContact O-CB 3.43Å
82	G	96.3	Very high	96.6	Very high	11 Å²	11	67.3 Å²	67.3	11%	0.113	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-169.5	163.4	0	0	0	0	0	111.4	V103 C104 D214	G82-V103 VanDerWaalsContact O-CG1 3.29Å; G82-V103 WeakPolarHBondContact O-CG1 3.38Å; G82-C104 PolarHBondContact N-O 3.37Å; G82-D214 WeakPolarHBondContact CA-OD1 3.16Å
83	H	96.3	Very high	96.5	Very high	42 Å²	42	66.1 Å²	66.1	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-176	175.9	-76.5	68.4	0	0	0	112.7	T87 C104 D214 S215 D231	H83-T87 WeakPolarHBondContact CB-OG1 3.45Å; H83-C104 WeakPolarHBondContact O-CB 3.08Å; H83-C104 PolarHBondContact O-N 2.87Å; H83-D214 IonicContact CE1-OD2 3.79Å; H83-D214 PolarHBondContact CE1-OD2 2.94Å; H83-D214 IonicContact CG-OD2 3.01Å; H83-D214 VanDerWaalsContact ND1-CG 3.27Å; H83-D214 IonicContact ND1-OD1 3.06Å; H83-D214 IonicContact ND1-OD2 3.61Å; H83-D214 PolarHBondContact ND1-OD2 3.23Å; H83-S215 WeakPolarHBondContact CB-OG 3.5Å; H83-S215 PolarHBondContact N-OG 3.44Å; H83-D231 IonicContact CE1-OD1 2.63Å; H83-D231 IonicContact CE1-OD2 3.91Å; H83-D231 PolarHBondContact CE1-OD2 2.82Å; H83-D231 IonicContact ND1-OD2 3.99Å; H83-D231 IonicContact NE2-OD2 3.7Å
84	K	97	Very high	96.5	Very high	150 Å²	150	66.5 Å²	66.5	65%	0.652	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	150.6	176.3	-66.5	-178.9	179.8	176.8	0	110.9	G86 T87 G102	K84-G86 PolarHBondContact O-N 2.62Å; K84-T87 PolarHBondContact O-N 3.01Å; K84-T87 PolarHBondContact O-OG1 2.76Å; K84-G102 CarbonylContact C-O 3.46Å; K84-G102 VanDerWaalsContact CA-O 3.29Å; K84-G102 WeakPolarHBondContact CA-O 3.43Å
85	V	95.8	Very high	96.4	Very high	61 Å²	61	67.9 Å²	67.9	37%	0.37	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-56.6	-27.4	176.7	178.7	0	0	0	0	112.3	T87 L88 H99 G102	V85-T87 VanDerWaalsContact C-N 3.27Å; V85-T87 PolarHBondContact O-N 3.35Å; V85-L88 VanDerWaalsContact O-CB 3.25Å; V85-L88 WeakPolarHBondContact O-CB 3.4Å; V85-L88 PolarHBondContact O-N 3.11Å; V85-H99 HydrophobicContact CG2-CB 3.67Å; V85-G102 PolarHBondContact N-O 3.01Å
86	G	95.6	Very high	96.4	Very high	81 Å²	81	63.7 Å²	63.7	84%	0.835	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-69.2	-17.7	177	0	0	0	0	0	115.3	K84	K84-G86 PolarHBondContact O-N 2.62Å
87	T	95	Very high	96.4	Very high	72 Å²	72	67.7 Å²	67.7	44%	0.442	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-108	7.6	176.4	55.9	0	0	0	0	112.2	H83 K84 V85 D89 N216	H83-T87 WeakPolarHBondContact CB-OG1 3.45Å; K84-T87 PolarHBondContact O-N 3.01Å; K84-T87 PolarHBondContact O-OG1 2.76Å; V85-T87 VanDerWaalsContact C-N 3.27Å; V85-T87 PolarHBondContact O-N 3.35Å; T87-D89 PolarHBondContact O-N 3.28Å; T87-N216 WeakPolarHBondContact O-CA 3.39Å; T87-N216 VanDerWaalsContact O-CB 3.25Å; T87-N216 WeakPolarHBondContact O-CB 3.4Å
88	L	95.9	Very high	96.4	Very high	38 Å²	38	68.8 Å²	68.8	20%	0.199	36%	0.359	C	S	.	.			trans	-66.9	126.4	-177.9	175.5	59.3	0	0	0	110.9	V85 M92 K93 L96 S215	V85-L88 VanDerWaalsContact O-CB 3.25Å; V85-L88 WeakPolarHBondContact O-CB 3.4Å; V85-L88 PolarHBondContact O-N 3.11Å; L88-M92 HydrophobicContact CD1-CB 4.15Å; L88-K93 HydrophobicContact CD2-CG 4.06Å; L88-L96 HydrophobicContact CD1-CD1 3.48Å; L88-L96 VanDerWaalsContact CD1-CD1 3.48Å; L88-L96 HydrophobicContact CD2-CD1 3.97Å; L88-L96 HydrophobicContact CG-CD1 4.39Å; L88-S215 WeakPolarHBondContact CD1-O 3.11Å
89	D	95.7	Very high	96.3	Very high	44 Å²	44	68.5 Å²	68.5	24%	0.235	36%	0.363	C	S	.	.			trans	-77.3	134.7	166.1	-170.9	-79.4	0	0	0	109.9	T87 R91 M92 S215	T87-D89 PolarHBondContact O-N 3.28Å; D89-R91 PolarHBondContact O-N 2.87Å; D89-R91 VanDerWaalsContact O-N 3.13Å; D89-R91 WeakPolarHBondContact OD1-CA 3.4Å; D89-R91 WeakPolarHBondContact OD1-CB 3.38Å; D89-R91 VanDerWaalsContact OD1-CD 3.32Å; D89-R91 WeakPolarHBondContact OD1-CD 3.25Å; D89-R91 WeakPolarHBondContact OD1-CG 3.36Å; D89-R91 PolarHBondContact OD1-N 2.65Å; D89-R91 IonicContact OD1-NE 2.65Å; D89-M92 HydrophobicContact CB-CG 4.4Å; D89-M92 PolarHBondContact O-N 3.34Å; D89-S215 PolarHBondContact N-O 2.92Å
90	D	95.9	Very high	96.3	Very high	114 Å²	114	77.4 Å²	77.4	61%	0.61	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-58.6	-28	-178.2	-77.4	-28.7	0	0	0	113.2	M92 K93	D90-M92 VanDerWaalsContact C-N 3.29Å; D90-M92 PolarHBondContact O-N 2.94Å; D90-K93 WeakPolarHBondContact O-CB 3.28Å; D90-K93 WeakPolarHBondContact O-CD 3.12Å; D90-K93 WeakPolarHBondContact O-CG 3.22Å; D90-K93 PolarHBondContact O-N 3.25Å; D90-K93 WeakPolarHBondContact OD1-CE 2.98Å; D90-K93 IonicContact OD1-NZ 3.52Å; D90-K93 PolarHBondContact OD1-NZ 3.22Å
91	R	95.3	Very high	96.3	Very high	126 Å²	126	84.3 Å²	84.3	48%	0.475	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-75	-22.4	-178.8	-55.6	159.9	-168.1	-177.6	11.2	111.8	D89 K93 N218 P219	D89-R91 PolarHBondContact O-N 2.87Å; D89-R91 VanDerWaalsContact O-N 3.13Å; D89-R91 WeakPolarHBondContact OD1-CA 3.4Å; D89-R91 WeakPolarHBondContact OD1-CB 3.38Å; D89-R91 VanDerWaalsContact OD1-CD 3.32Å; D89-R91 WeakPolarHBondContact OD1-CD 3.25Å; D89-R91 WeakPolarHBondContact OD1-CG 3.36Å; D89-R91 PolarHBondContact OD1-N 2.65Å; D89-R91 IonicContact OD1-NE 2.65Å; R91-K93 VanDerWaalsContact C-N 3.34Å; R91-N218 WeakPolarHBondContact CD-OD1 3.32Å; R91-N218 PolarHBondContact NH1-ND2 2.94Å; R91-N218 PolarHBondContact NH1-OD1 2.68Å; R91-P219 HydrophobicContact CB-CG 4.24Å
92	M	96.5	Very high	96.2	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-82.7	-11	178.5	-70.7	-57.3	-63.6	0	0	113.4	L88 D89 D90 A94 F95 F106 V213 C217 P219 P227	L88-M92 HydrophobicContact CD1-CB 4.15Å; D89-M92 HydrophobicContact CB-CG 4.4Å; D89-M92 PolarHBondContact O-N 3.34Å; D90-M92 VanDerWaalsContact C-N 3.29Å; D90-M92 PolarHBondContact O-N 2.94Å; M92-A94 PolarHBondContact O-N 2.89Å; M92-A94 VanDerWaalsContact O-N 3.1Å; M92-F95 HydrophobicContact CE-CB 4.33Å; M92-F95 HydrophobicContact CE-CD2 3.75Å; M92-F95 HydrophobicContact CE-CG 4.38Å; M92-F95 PolarHBondContact O-N 2.91Å; M92-F95 HydrophobicContact SD-CD2 3.82Å; M92-F95 HydrophobicContact SD-CE2 4.16Å; M92-F106 HydrophobicContact CE-CE1 3.8Å; M92-F106 HydrophobicContact CE-CZ 4.36Å; M92-V213 HydrophobicContact CE-CB 4.2Å; M92-V213 HydrophobicContact CE-CG2 3.74Å; M92-V213 HydrophobicContact SD-CB 4.38Å; M92-V213 HydrophobicContact SD-CG2 4.15Å; M92-C217 WeakPolarHBondContact CG-O 3.41Å; M92-P219 HydrophobicContact SD-CB 4.06Å; M92-P219 HydrophobicContact SD-CG 3.68Å; M92-P227 HydrophobicContact CE-CB 4.28Å
93	K	95.3	Very high	96.2	Very high	116 Å²	116	83.4 Å²	83.4	50%	0.504	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-53.4	-34	-178.2	-75.1	174.8	171.3	167.5	0	114	L88 D90 R91 F95 L96	L88-K93 HydrophobicContact CD2-CG 4.06Å; D90-K93 WeakPolarHBondContact O-CB 3.28Å; D90-K93 WeakPolarHBondContact O-CD 3.12Å; D90-K93 WeakPolarHBondContact O-CG 3.22Å; D90-K93 PolarHBondContact O-N 3.25Å; D90-K93 WeakPolarHBondContact OD1-CE 2.98Å; D90-K93 IonicContact OD1-NZ 3.52Å; D90-K93 PolarHBondContact OD1-NZ 3.22Å; R91-K93 VanDerWaalsContact C-N 3.34Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 2.89Å; K93-L96 PolarHBondContact O-N 3.06Å
94	A	95.9	Very high	96.3	Very high	72 Å²	72	81.5 Å²	81.5	60%	0.595	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-68.3	-28.3	-178.8	0	0	0	0	0	113.6	M92 Q110	M92-A94 PolarHBondContact O-N 2.89Å; M92-A94 VanDerWaalsContact O-N 3.1Å; A94-Q110 PolarHBondContact O-NE2 2.86Å; A94-Q110 PolarHBondContact O-OE1 3.07Å
95	F	96.7	Very high	96.3	Very high	29 Å²	29	76.4 Å²	76.4	13%	0.127	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-89.8	-7.9	-177.7	-56.5	-68	0	0	0	113.5	M92 K93 F106 D107 H114 P219 P227	M92-F95 HydrophobicContact CE-CB 4.33Å; M92-F95 HydrophobicContact CE-CD2 3.75Å; M92-F95 HydrophobicContact CE-CG 4.38Å; M92-F95 PolarHBondContact O-N 2.91Å; M92-F95 HydrophobicContact SD-CD2 3.82Å; M92-F95 HydrophobicContact SD-CE2 4.16Å; K93-F95 VanDerWaalsContact C-N 3.31Å; K93-F95 PolarHBondContact O-N 2.89Å; F95-F106 HydrophobicContact CB-CD1 4.48Å; F95-D107 PolarHBondContact O-N 2.95Å; F95-H114 AromaticContact CE1-CE1 3.66Å; F95-H114 AromaticContact CE1-NE2 3.64Å; F95-P219 HydrophobicContact CE2-CB 4.43Å; F95-P219 HydrophobicContact CE2-CG 4.19Å; F95-P227 HydrophobicContact CB-CB 3.66Å; F95-P227 HydrophobicContact CB-CG 4.11Å; F95-P227 HydrophobicContact CD1-CB 4.19Å; F95-P227 HydrophobicContact CD1-CG 3.86Å; F95-P227 HydrophobicContact CG-CB 3.9Å; F95-P227 HydrophobicContact CG-CG 4.11Å
96	L	97.1	Very high	96.4	Very high	26 Å²	26	73.7 Å²	73.7	14%	0.136	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.2	-179.8	-64.8	-177.1	0	0	0	110.7	L88 K93 C104 I105 F106	L88-L96 HydrophobicContact CD1-CD1 3.48Å; L88-L96 VanDerWaalsContact CD1-CD1 3.48Å; L88-L96 HydrophobicContact CD2-CD1 3.97Å; L88-L96 HydrophobicContact CG-CD1 4.39Å; K93-L96 PolarHBondContact O-N 3.06Å; L96-C104 HydrophobicContact CD1-CB 3.91Å; L96-C104 HydrophobicContact CD2-CB 3.99Å; L96-I105 CarbonylContact C-O 3.52Å; L96-I105 WeakPolarHBondContact CA-O 3.41Å; L96-F106 HydrophobicContact CD2-CD1 3.62Å; L96-F106 HydrophobicContact CD2-CE1 3.69Å; L96-F106 HydrophobicContact CD2-CG 4.13Å; L96-F106 HydrophobicContact CD2-CZ 4.26Å
97	Y	97.2	Very high	96.5	Very high	182 Å²	182	71.4 Å²	71.4	71%	0.714	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	-37.3	168.6	-175.6	-101.9	0	0	0	111.2	I105	Y97-I105 PolarHBondContact N-O 3.2Å
98	G	96.8	Very high	96.6	Very high	30 Å²	30	68.8 Å²	68.8	31%	0.309	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-157.1	-179.8	0	0	0	0	0	112.2	I105	G98-I105 PolarHBondContact N-O 3.02Å; G98-I105 PolarHBondContact O-N 3.43Å
99	H	96.5	Very high	96.7	Very high	131 Å²	131	72.2 Å²	72.2	61%	0.606	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	174.8	63.7	68.6	0	0	0	111.8	V85 V103	V85-H99 HydrophobicContact CG2-CB 3.67Å; H99-V103 CarbonylContact C-O 3.56Å; H99-V103 WeakPolarHBondContact CA-O 3.22Å; H99-V103 WeakPolarHBondContact CB-O 3.35Å
100	R	97	Very high	96.8	Very high	186 Å²	186	72.9 Å²	72.9	70%	0.702	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.4	174.4	-177	175.7	-179.7	131.5	0.3	109.4	G102 V103 I105	R100-G102 PolarHBondContact O-N 3.34Å; R100-G102 VanDerWaalsContact O-N 3.16Å; R100-V103 PolarHBondContact N-O 3.33Å; R100-V103 PolarHBondContact O-N 3.1Å; R100-I105 HydrophobicContact CB-CD1 3.61Å
101	L	96.8	Very high	96.8	Very high	168 Å²	168	67.4 Å²	67.4	88%	0.88	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.3	-179.1	-58	173.3	0	0	0	113.1	V103	L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.27Å
102	G	95.1	Very high	96.9	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.6	-179.1	0	0	0	0	0	115.7	K84 V85 R100	K84-G102 CarbonylContact C-O 3.46Å; K84-G102 VanDerWaalsContact CA-O 3.29Å; K84-G102 WeakPolarHBondContact CA-O 3.43Å; V85-G102 PolarHBondContact N-O 3.01Å; R100-G102 PolarHBondContact O-N 3.34Å; R100-G102 VanDerWaalsContact O-N 3.16Å
103	V	96.9	Very high	96.9	Very high	50 Å²	50	71.4 Å²	71.4	30%	0.303	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.5	173.7	-176.9	0	0	0	0	109.6	G82 H99 R100 L101	G82-V103 VanDerWaalsContact O-CG1 3.29Å; G82-V103 WeakPolarHBondContact O-CG1 3.38Å; H99-V103 CarbonylContact C-O 3.56Å; H99-V103 WeakPolarHBondContact CA-O 3.22Å; H99-V103 WeakPolarHBondContact CB-O 3.35Å; R100-V103 PolarHBondContact N-O 3.33Å; R100-V103 PolarHBondContact O-N 3.1Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.27Å
104	C	97.5	Very high	97	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142.3	177	-68.5	0	0	0	0	111.2	G82 H83 L96	G82-C104 PolarHBondContact N-O 3.37Å; H83-C104 WeakPolarHBondContact O-CB 3.08Å; H83-C104 PolarHBondContact O-N 2.87Å; L96-C104 HydrophobicContact CD1-CB 3.91Å; L96-C104 HydrophobicContact CD2-CB 3.99Å
105	I	98	Very high	97.1	Very high	43 Å²	43	64.2 Å²	64.2	22%	0.221	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125	177.7	-60.8	176.5	0	0	0	108.6	H80 L96 Y97 G98 R100	H80-I105 HydrophobicContact CB-CG2 4.43Å; H80-I105 CarbonylContact O-C 3.48Å; H80-I105 VanDerWaalsContact O-CA 3.3Å; H80-I105 WeakPolarHBondContact O-CA 3.47Å; L96-I105 CarbonylContact C-O 3.52Å; L96-I105 WeakPolarHBondContact CA-O 3.41Å; Y97-I105 PolarHBondContact N-O 3.2Å; G98-I105 PolarHBondContact N-O 3.02Å; G98-I105 PolarHBondContact O-N 3.43Å; R100-I105 HydrophobicContact CB-CD1 3.61Å
106	F	98	Very high	97.1	Very high	3 Å²	3	65.1 Å²	65.1	1%	0.013	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.5	175.9	-72.9	-73.3	0	0	0	112.6	H80 M92 F95 L96 L108 P227	H80-F106 PolarHBondContact O-N 3.45Å; M92-F106 HydrophobicContact CE-CE1 3.8Å; M92-F106 HydrophobicContact CE-CZ 4.36Å; F95-F106 HydrophobicContact CB-CD1 4.48Å; L96-F106 HydrophobicContact CD2-CD1 3.62Å; L96-F106 HydrophobicContact CD2-CE1 3.69Å; L96-F106 HydrophobicContact CD2-CG 4.13Å; L96-F106 HydrophobicContact CD2-CZ 4.26Å; F106-L108 PolarHBondContact O-N 3.39Å; F106-P227 HydrophobicContact CD1-CB 3.87Å; F106-P227 HydrophobicContact CE1-CB 3.94Å
107	D	97.8	Very high	97.1	Very high	34 Å²	34	67.7 Å²	67.7	18%	0.182	33%	0.328	C	S	.	.			trans	-77.5	103.9	168.8	-175	-8.1	0	0	0	109.8	F95 D109 Q110 T111	F95-D107 PolarHBondContact O-N 2.95Å; D107-D109 PolarHBondContact O-N 2.86Å; D107-D109 PolarHBondContact OD1-N 3.36Å; D107-D109 VanDerWaalsContact OD1-N 3.11Å; D107-Q110 HydrophobicContact CB-CB 4.2Å; D107-Q110 HydrophobicContact CB-CG 4.12Å; D107-Q110 WeakPolarHBondContact O-CB 3.15Å; D107-Q110 PolarHBondContact O-N 2.99Å; D107-Q110 VanDerWaalsContact O-N 3.17Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.48Å; D107-Q110 PolarHBondContact OD2-NE2 2.99Å; D107-T111 PolarHBondContact O-N 3.24Å; D107-T111 PolarHBondContact O-OG1 3.28Å
108	L	97.7	Very high	97.1	Very high	17 Å²	17	59 Å²	59	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-23.4	-176.3	-68.6	-176.5	0	0	0	113.4	V71 L74 F75 V79 H80 F106 T111 R112	V71-L108 HydrophobicContact CG1-CB 3.95Å; V71-L108 HydrophobicContact CG1-CD1 4.31Å; L74-L108 HydrophobicContact CB-CD1 4.3Å; L74-L108 HydrophobicContact CB-CD2 4.05Å; F75-L108 HydrophobicContact CB-CD1 3.87Å; F75-L108 HydrophobicContact CD2-CD1 4.15Å; V79-L108 HydrophobicContact CB-CD2 4.17Å; V79-L108 HydrophobicContact CG1-CD2 4Å; H80-L108 HydrophobicContact CB-CD1 4.1Å; H80-L108 HydrophobicContact CB-CD2 3.84Å; H80-L108 HydrophobicContact CB-CG 3.97Å; F106-L108 PolarHBondContact O-N 3.39Å; L108-T111 PolarHBondContact O-N 3.18Å; L108-R112 VanDerWaalsContact O-CB 3.28Å; L108-R112 WeakPolarHBondContact O-CB 3.36Å; L108-R112 PolarHBondContact O-N 3.22Å
109	D	97.3	Very high	97.2	Very high	109 Å²	109	57.6 Å²	57.6	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-69.6	-42.2	175.5	-71.1	-33.9	0	0	0	110	D107 R112 F113	D107-D109 PolarHBondContact O-N 2.86Å; D107-D109 PolarHBondContact OD1-N 3.36Å; D107-D109 VanDerWaalsContact OD1-N 3.11Å; D109-R112 PolarHBondContact O-N 3.37Å; D109-F113 PolarHBondContact O-N 3.3Å; D109-F113 VanDerWaalsContact O-N 3.12Å
110	Q	96.5	Very high	97.2	Very high	58 Å²	58	52.9 Å²	52.9	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-44.6	171.9	-66.4	-175.5	50.3	0	0	111.5	A94 D107 R112 F113 H114	A94-Q110 PolarHBondContact O-NE2 2.86Å; A94-Q110 PolarHBondContact O-OE1 3.07Å; D107-Q110 HydrophobicContact CB-CB 4.2Å; D107-Q110 HydrophobicContact CB-CG 4.12Å; D107-Q110 WeakPolarHBondContact O-CB 3.15Å; D107-Q110 PolarHBondContact O-N 2.99Å; D107-Q110 VanDerWaalsContact O-N 3.17Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.48Å; D107-Q110 PolarHBondContact OD2-NE2 2.99Å; Q110-R112 VanDerWaalsContact C-N 3.3Å; Q110-R112 PolarHBondContact O-N 2.83Å; Q110-F113 PolarHBondContact O-N 3.16Å; Q110-H114 PolarHBondContact O-N 2.61Å; Q110-H114 PolarHBondContact O-ND1 3.19Å
111	T	97.5	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.5	-45.9	175.7	-60.8	0	0	0	0	111.4	L74 V79 D107 L108 F113 H114 L115 I226 P227	L74-T111 HydrophobicContact CD1-CG2 4.43Å; V79-T111 HydrophobicContact CG1-CG2 3.78Å; D107-T111 PolarHBondContact O-N 3.24Å; D107-T111 PolarHBondContact O-OG1 3.28Å; L108-T111 PolarHBondContact O-N 3.18Å; T111-F113 VanDerWaalsContact C-N 3.33Å; T111-F113 PolarHBondContact O-N 3.06Å; T111-H114 PolarHBondContact O-N 2.71Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 PolarHBondContact O-N 3.46Å; T111-I226 HydrophobicContact CG2-CG2 4.45Å; T111-P227 WeakPolarHBondContact CB-O 3.06Å; T111-P227 WeakPolarHBondContact CG2-O 3.33Å; T111-P227 PolarHBondContact OG1-O 2.61Å
112	R	97.1	Very high	97.2	Very high	92 Å²	92	38.1 Å²	38.1	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-59.3	-44.5	178.2	171.8	166.2	-178.2	-88.5	-3.5	111.8	F69 L74 L108 D109 Q110 L116	F69-R112 HydrophobicContact CE2-CB 4.2Å; F69-R112 HydrophobicContact CE2-CG 3.77Å; F69-R112 HydrophobicContact CZ-CG 4.37Å; L74-R112 HydrophobicContact CD1-CB 3.83Å; L108-R112 VanDerWaalsContact O-CB 3.28Å; L108-R112 WeakPolarHBondContact O-CB 3.36Å; L108-R112 PolarHBondContact O-N 3.22Å; D109-R112 PolarHBondContact O-N 3.37Å; Q110-R112 VanDerWaalsContact C-N 3.3Å; Q110-R112 PolarHBondContact O-N 2.83Å; R112-L116 WeakPolarHBondContact O-CB 3.38Å; R112-L116 PolarHBondContact O-N 3.27Å
113	F	96.8	Very high	97.4	Very high	118 Å²	118	36.5 Å²	36.5	52%	0.518	18%	0.176	S	C	.	.	H	α-helix	trans	-59.9	-52.1	178.3	177.4	-97.6	0	0	0	111.9	D109 Q110 T111 L115 L116 Q117	D109-F113 PolarHBondContact O-N 3.3Å; D109-F113 VanDerWaalsContact O-N 3.12Å; Q110-F113 PolarHBondContact O-N 3.16Å; T111-F113 VanDerWaalsContact C-N 3.33Å; T111-F113 PolarHBondContact O-N 3.06Å; F113-L115 PolarHBondContact O-N 3Å; F113-L116 PolarHBondContact O-N 2.92Å; F113-Q117 VanDerWaalsContact CE1-CD 3.43Å; F113-Q117 HydrophobicContact CE1-CG 4.41Å; F113-Q117 VanDerWaalsContact CE1-NE2 3.32Å; F113-Q117 HydrophobicContact CZ-CG 4.45Å; F113-Q117 WeakPolarHBondContact O-CG 3.43Å; F113-Q117 PolarHBondContact O-N 3.31Å; F113-Q117 VanDerWaalsContact O-N 3.13Å
114	H	97.4	Very high	97.4	Very high	37 Å²	37	34.7 Å²	34.7	17%	0.171	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-38.9	-179.5	-69.1	86.5	0	0	0	112.3	F95 Q110 T111 Q117 A118 P225	F95-H114 AromaticContact CE1-CE1 3.66Å; F95-H114 AromaticContact CE1-NE2 3.64Å; Q110-H114 PolarHBondContact O-N 2.61Å; Q110-H114 PolarHBondContact O-ND1 3.19Å; T111-H114 PolarHBondContact O-N 2.71Å; H114-Q117 PolarHBondContact O-N 3.45Å; H114-A118 WeakPolarHBondContact O-CB 2.97Å; H114-A118 PolarHBondContact O-N 3.43Å; H114-P225 WeakPolarHBondContact CB-O 3.22Å
115	L	97.5	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-42.5	176.6	-179.2	57.3	0	0	0	111.5	F69 L74 T111 F113 A118 L119 I226 F238 Y239 L242	F69-L115 HydrophobicContact CD2-CD2 4.19Å; F69-L115 HydrophobicContact CE1-CD2 4.26Å; F69-L115 HydrophobicContact CE1-CG 4.22Å; F69-L115 HydrophobicContact CE2-CB 4.41Å; F69-L115 HydrophobicContact CE2-CD2 3.66Å; F69-L115 HydrophobicContact CE2-CG 4.16Å; F69-L115 HydrophobicContact CZ-CB 4.07Å; F69-L115 HydrophobicContact CZ-CD2 3.72Å; F69-L115 HydrophobicContact CZ-CG 3.73Å; L74-L115 HydrophobicContact CD2-CD2 3.89Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 PolarHBondContact O-N 3.46Å; F113-L115 PolarHBondContact O-N 3Å; L115-A118 PolarHBondContact O-N 3.25Å; L115-L119 HydrophobicContact CD1-CD1 4.05Å; L115-L119 HydrophobicContact CD1-CG 4.08Å; L115-L119 HydrophobicContact CG-CD1 3.96Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.22Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-I226 HydrophobicContact CB-CG2 4.11Å; L115-I226 HydrophobicContact CD1-CD1 3.88Å; L115-I226 HydrophobicContact CD1-CG1 4.49Å; L115-I226 HydrophobicContact CD1-CG2 4.13Å; L115-F238 HydrophobicContact CD2-CE1 4.42Å; L115-Y239 HydrophobicContact CD1-CD1 4.41Å; L115-L242 HydrophobicContact CD2-CD1 3.76Å; L115-L242 HydrophobicContact CG-CD1 4.42Å
116	L	96.9	Very high	97.3	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.246	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-43.8	176.9	-176.4	62.1	0	0	0	111.6	L65 F69 R112 F113 A118 L119 N120	L65-L116 HydrophobicContact CB-CD1 4.02Å; F69-L116 HydrophobicContact CZ-CB 4.42Å; R112-L116 WeakPolarHBondContact O-CB 3.38Å; R112-L116 PolarHBondContact O-N 3.27Å; F113-L116 PolarHBondContact O-N 2.92Å; L116-A118 PolarHBondContact O-N 3.43Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 2.68Å
117	Q	96.6	Very high	97.2	Very high	80 Å²	80	33.5 Å²	33.5	37%	0.374	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-45.7	175.5	-70.5	-177.4	-37.3	0	0	111.8	F113 H114 N120 F121 Y224	F113-Q117 VanDerWaalsContact CE1-CD 3.43Å; F113-Q117 HydrophobicContact CE1-CG 4.41Å; F113-Q117 VanDerWaalsContact CE1-NE2 3.32Å; F113-Q117 HydrophobicContact CZ-CG 4.45Å; F113-Q117 WeakPolarHBondContact O-CG 3.43Å; F113-Q117 PolarHBondContact O-N 3.31Å; F113-Q117 VanDerWaalsContact O-N 3.13Å; H114-Q117 PolarHBondContact O-N 3.45Å; Q117-N120 PolarHBondContact O-N 2.99Å; Q117-F121 PolarHBondContact O-N 3.47Å; Q117-Y224 HydrophobicContact CB-CD1 4.37Å
118	A	97.8	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-45.1	177.7	0	0	0	0	0	112.4	H114 L115 L116 N120 F121 V122 V210 I226	H114-A118 WeakPolarHBondContact O-CB 2.97Å; H114-A118 PolarHBondContact O-N 3.43Å; L115-A118 PolarHBondContact O-N 3.25Å; L116-A118 PolarHBondContact O-N 3.43Å; A118-N120 PolarHBondContact O-N 3.36Å; A118-F121 PolarHBondContact O-N 3.38Å; A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.49Å; A118-V210 HydrophobicContact CB-CG1 3.76Å; A118-I226 HydrophobicContact CB-CD1 3.7Å; A118-I226 HydrophobicContact CB-CG1 3.89Å
119	L	97.8	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-39.5	178.9	-69.8	169.7	0	0	0	111.9	L65 F69 L115 L116 V122 A123 L242 F243 A246	L65-L119 HydrophobicContact CD1-CB 4.11Å; F69-L119 HydrophobicContact CD1-CD1 4.26Å; F69-L119 HydrophobicContact CE1-CD1 3.57Å; F69-L119 HydrophobicContact CZ-CD1 4.34Å; L115-L119 HydrophobicContact CD1-CD1 4.05Å; L115-L119 HydrophobicContact CD1-CG 4.08Å; L115-L119 HydrophobicContact CG-CD1 3.96Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.22Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.45Å; L116-L119 PolarHBondContact O-N 3.36Å; L119-V122 PolarHBondContact O-N 2.99Å; L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 2.95Å; L119-L242 HydrophobicContact CD1-CB 4.14Å; L119-L242 HydrophobicContact CD1-CD1 4.31Å; L119-L242 HydrophobicContact CD2-CB 3.92Å; L119-F243 HydrophobicContact CD2-CD1 3.74Å; L119-F243 HydrophobicContact CD2-CE1 4.08Å; L119-A246 HydrophobicContact CB-CB 4.37Å; L119-A246 HydrophobicContact CD2-CB 3.92Å
120	N	96.9	Very high	96.8	Very high	31 Å²	31	34.9 Å²	34.9	17%	0.166	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-45.1	175.2	-168.4	28.4	0	0	0	111	P60 L65 L116 Q117 A118 V122 A123 H124	P60-N120 PolarHBondContact O-ND2 3.03Å; L65-N120 HydrophobicContact CD1-CB 4.49Å; L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 2.68Å; Q117-N120 PolarHBondContact O-N 2.99Å; A118-N120 PolarHBondContact O-N 3.36Å; N120-V122 PolarHBondContact O-N 3.25Å; N120-A123 PolarHBondContact O-N 3.32Å; N120-H124 PolarHBondContact O-CD2 3.01Å; N120-H124 PolarHBondContact O-N 2.97Å; N120-H124 PolarHBondContact OD1-CD2 3.06Å; N120-H124 PolarHBondContact OD1-NE2 3.32Å
121	F	97.3	Very high	96.8	Very high	45 Å²	45	33.7 Å²	33.7	20%	0.197	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-49	175.6	-172.6	-99.6	0	0	0	112	Q117 A118 A123 H124 I125 L182 P208 V210 Y224	Q117-F121 PolarHBondContact O-N 3.47Å; A118-F121 PolarHBondContact O-N 3.38Å; F121-A123 VanDerWaalsContact C-N 3.31Å; F121-A123 PolarHBondContact O-N 3.22Å; F121-H124 PolarHBondContact O-N 3.47Å; F121-I125 HydrophobicContact CD1-CG1 4.15Å; F121-I125 HydrophobicContact CE1-CD1 4.17Å; F121-I125 HydrophobicContact CE1-CG1 3.78Å; F121-I125 HydrophobicContact CZ-CD1 3.96Å; F121-I125 HydrophobicContact CZ-CG1 4.06Å; F121-I125 WeakPolarHBondContact O-CG1 3.41Å; F121-I125 PolarHBondContact O-N 3.29Å; F121-L182 HydrophobicContact CD1-CD1 4.04Å; F121-L182 HydrophobicContact CD1-CD2 4.36Å; F121-L182 HydrophobicContact CE1-CD1 3.73Å; F121-L182 HydrophobicContact CE1-CD2 4.47Å; F121-P208 HydrophobicContact CE1-CB 3.91Å; F121-P208 HydrophobicContact CE1-CG 3.85Å; F121-P208 HydrophobicContact CZ-CB 3.93Å; F121-P208 HydrophobicContact CZ-CG 3.8Å; F121-V210 HydrophobicContact CD1-CG2 4.24Å; F121-Y224 HydrophobicContact CB-CD2 4.39Å; F121-Y224 HydrophobicContact CB-CE2 3.98Å; F121-Y224 HydrophobicContact CD1-CD2 4.02Å; F121-Y224 AromaticContact CD1-CE2 3.73Å; F121-Y224 HydrophobicContact CD1-CE2 3.73Å; F121-Y224 AromaticContact CD2-CE2 3.51Å; F121-Y224 HydrophobicContact CD2-CE2 3.51Å; F121-Y224 AromaticContact CD2-CZ 3.7Å; F121-Y224 WeakPolarHBondContact CD2-OH 3.3Å; F121-Y224 HydrophobicContact CE1-CD2 4.47Å; F121-Y224 HydrophobicContact CE1-CE2 4.06Å; F121-Y224 AromaticContact CE2-CE2 3.86Å; F121-Y224 HydrophobicContact CE2-CE2 3.86Å; F121-Y224 HydrophobicContact CG-CD2 4.05Å; F121-Y224 AromaticContact CG-CE2 3.44Å; F121-Y224 HydrophobicContact CG-CE2 3.44Å; F121-Y224 VanDerWaalsContact CG-CE2 3.44Å; F121-Y224 AromaticContact CG-CZ 3.87Å; F121-Y224 HydrophobicContact CZ-CE2 4.12Å
122	V	97.9	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-44.8	176.6	172	0	0	0	0	111.2	A118 L119 N120 I125 A126 I132 L182 I184 V210 F243 A246 I247	A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.49Å; L119-V122 PolarHBondContact O-N 2.99Å; N120-V122 PolarHBondContact O-N 3.25Å; V122-I125 PolarHBondContact O-N 3.27Å; V122-A126 WeakPolarHBondContact O-CB 3.48Å; V122-A126 PolarHBondContact O-N 3.28Å; V122-I132 HydrophobicContact CG1-CD1 4.29Å; V122-L182 HydrophobicContact CB-CD2 4.25Å; V122-L182 HydrophobicContact CG1-CD2 4.49Å; V122-L182 HydrophobicContact CG2-CD2 3.75Å; V122-I184 HydrophobicContact CG1-CD1 4.08Å; V122-I184 HydrophobicContact CG2-CD1 3.94Å; V122-I184 HydrophobicContact CG2-CG1 4.44Å; V122-V210 HydrophobicContact CG2-CG2 4.23Å; V122-F243 HydrophobicContact CG2-CD1 4.14Å; V122-F243 HydrophobicContact CG2-CE1 4.21Å; V122-A246 HydrophobicContact CG1-CB 4.38Å; V122-I247 HydrophobicContact CG1-CD1 4.13Å; V122-I247 HydrophobicContact CG1-CG1 3.46Å; V122-I247 VanDerWaalsContact CG1-CG1 3.46Å
123	A	97.3	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-39.4	179.7	0	0	0	0	0	112.3	F63 L65 L119 N120 F121 A126 Y127 A246	F63-A123 HydrophobicContact CB-CB 4.4Å; F63-A123 HydrophobicContact CD1-CB 4.37Å; F63-A123 HydrophobicContact CD2-CB 3.38Å; F63-A123 HydrophobicContact CE2-CB 3.55Å; F63-A123 HydrophobicContact CG-CB 3.81Å; F63-A123 HydrophobicContact CZ-CB 4.14Å; L65-A123 HydrophobicContact CD1-CB 3.96Å; L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 2.95Å; N120-A123 PolarHBondContact O-N 3.32Å; F121-A123 VanDerWaalsContact C-N 3.31Å; F121-A123 PolarHBondContact O-N 3.22Å; A123-A126 PolarHBondContact O-N 3.41Å; A123-Y127 WeakPolarHBondContact O-CB 3.34Å; A123-Y127 PolarHBondContact O-N 2.83Å; A123-A246 HydrophobicContact CB-CB 4.39Å
124	H	96.8	Very high	96.9	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-39.1	174.1	-80.1	-64	0	0	0	113.1	S56 F63 N120 F121 Y127 R128	S56-H124 PolarHBondContact O-CE1 3.2Å; S56-H124 VanDerWaalsContact O-CE1 3.29Å; F63-H124 HydrophobicContact CE2-CB 4.4Å; F63-H124 AromaticContact CE2-CD2 3.84Å; F63-H124 AromaticContact CE2-CE1 3.58Å; F63-H124 AromaticContact CE2-CG 3.68Å; F63-H124 AromaticContact CE2-ND1 3.53Å; F63-H124 AromaticContact CE2-NE2 3.79Å; F63-H124 AromaticContact CZ-ND1 3.79Å; N120-H124 PolarHBondContact O-CD2 3.01Å; N120-H124 PolarHBondContact O-N 2.97Å; N120-H124 PolarHBondContact OD1-CD2 3.06Å; N120-H124 PolarHBondContact OD1-NE2 3.32Å; F121-H124 PolarHBondContact O-N 3.47Å; H124-Y127 PolarHBondContact O-N 3.48Å; H124-R128 WeakPolarHBondContact O-CG 2.97Å; H124-R128 PolarHBondContact O-N 2.83Å
125	I	97.1	Very high	96.9	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.108	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-44.5	175	-63.8	-61.6	0	0	0	110.3	F121 V122 Y127 R128 N129 G130 I132 D181 L182	F121-I125 HydrophobicContact CD1-CG1 4.15Å; F121-I125 HydrophobicContact CE1-CD1 4.17Å; F121-I125 HydrophobicContact CE1-CG1 3.78Å; F121-I125 HydrophobicContact CZ-CD1 3.96Å; F121-I125 HydrophobicContact CZ-CG1 4.06Å; F121-I125 WeakPolarHBondContact O-CG1 3.41Å; F121-I125 PolarHBondContact O-N 3.29Å; V122-I125 PolarHBondContact O-N 3.27Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 PolarHBondContact O-N 2.98Å; I125-R128 CarbonylContact O-C 3.56Å; I125-R128 PolarHBondContact O-N 3.11Å; I125-N129 PolarHBondContact O-N 2.81Å; I125-G130 PolarHBondContact O-N 2.93Å; I125-I132 HydrophobicContact CG2-CD1 4.41Å; I125-I132 HydrophobicContact CG2-CG1 4.01Å; I125-D181 HydrophobicContact CG2-CB 4.38Å; I125-L182 HydrophobicContact CB-CD2 4.34Å; I125-L182 HydrophobicContact CG1-CB 4.34Å; I125-L182 HydrophobicContact CG1-CD2 4.27Å; I125-L182 HydrophobicContact CG2-CB 4Å; I125-L182 HydrophobicContact CG2-CD2 4.48Å
126	A	96.7	Very high	96.8	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-40.8	175.2	0	0	0	0	0	112.4	V122 A123 R128 N129 I132 I247	V122-A126 WeakPolarHBondContact O-CB 3.48Å; V122-A126 PolarHBondContact O-N 3.28Å; A123-A126 PolarHBondContact O-N 3.41Å; A126-R128 VanDerWaalsContact C-N 3.3Å; A126-R128 PolarHBondContact O-N 3.48Å; A126-N129 PolarHBondContact O-N 3.03Å; A126-N129 VanDerWaalsContact O-N 3.1Å; A126-I132 HydrophobicContact CB-CD1 4.24Å; A126-I247 HydrophobicContact CB-CB 4.35Å; A126-I247 HydrophobicContact CB-CG2 3.85Å
127	Y	95.7	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-37	175.5	-179.8	-107.8	0	0	0	112.4	F53 F63 A123 H124 I125 N129 K253 R254 D257 L259	F53-Y127 AromaticContact CD1-CD1 3.87Å; F53-Y127 HydrophobicContact CD1-CD1 3.87Å; F53-Y127 AromaticContact CD1-CE1 3.55Å; F53-Y127 HydrophobicContact CD1-CE1 3.55Å; F53-Y127 AromaticContact CE1-CD1 3.94Å; F53-Y127 HydrophobicContact CE1-CD1 3.94Å; F53-Y127 AromaticContact CE1-CE1 3.74Å; F53-Y127 HydrophobicContact CE1-CE1 3.74Å; F63-Y127 HydrophobicContact CE1-CD2 4.29Å; F63-Y127 HydrophobicContact CE1-CG 4.31Å; F63-Y127 HydrophobicContact CZ-CG 4.18Å; A123-Y127 WeakPolarHBondContact O-CB 3.34Å; A123-Y127 PolarHBondContact O-N 2.83Å; H124-Y127 PolarHBondContact O-N 3.48Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 PolarHBondContact O-N 2.98Å; Y127-N129 PolarHBondContact O-N 3.32Å; Y127-K253 HydrophobicContact CD2-CB 4.18Å; Y127-K253 HydrophobicContact CD2-CG 4.14Å; Y127-K253 HydrophobicContact CE2-CB 4.33Å; Y127-K253 HydrophobicContact CE2-CG 3.9Å; Y127-R254 HydrophobicContact CD2-CB 3.84Å; Y127-R254 HydrophobicContact CE2-CB 4.19Å; Y127-R254 VanDerWaalsContact O-CD 3.3Å; Y127-R254 WeakPolarHBondContact O-CD 3.38Å; Y127-R254 WeakPolarHBondContact O-CG 3.28Å; Y127-R254 PolarHBondContact O-NH1 3.42Å; Y127-D257 HydrophobicContact CE2-CB 4.48Å; Y127-D257 WeakPolarHBondContact CE2-OD2 3.27Å; Y127-D257 VanDerWaalsContact CZ-OD2 3.31Å; Y127-D257 PolarHBondContact OH-OD2 3.41Å; Y127-L259 HydrophobicContact CE1-CD1 4.1Å; Y127-L259 HydrophobicContact CE2-CD1 4.14Å; Y127-L259 WeakPolarHBondContact OH-CD1 3.39Å
128	R	94.1	Very high	96.4	Very high	88 Å²	88	21.2 Å²	21.2	33%	0.332	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4	175.4	-69.8	-179.5	179.7	115.3	8.8	114.3	F53 L57 H124 I125 A126 G130 R254	F53-R128 HydrophobicContact CD1-CG 3.86Å; F53-R128 HydrophobicContact CE1-CG 3.9Å; F53-R128 HydrophobicContact CG-CG 4.5Å; L57-R128 VanDerWaalsContact CD2-NH2 3.33Å; L57-R128 VanDerWaalsContact CG-NH2 3.34Å; H124-R128 WeakPolarHBondContact O-CG 2.97Å; H124-R128 PolarHBondContact O-N 2.83Å; I125-R128 CarbonylContact O-C 3.56Å; I125-R128 PolarHBondContact O-N 3.11Å; A126-R128 VanDerWaalsContact C-N 3.3Å; A126-R128 PolarHBondContact O-N 3.48Å; R128-G130 PolarHBondContact O-N 2.81Å; R128-R254 VanDerWaalsContact C-NH1 3.34Å
129	N	94.4	Very high	96.1	Very high	90 Å²	90	30.9 Å²	30.9	48%	0.481	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	38.8	-176	-162.9	45.6	0	0	0	112.4	I125 A126 Y127 R254	I125-N129 PolarHBondContact O-N 2.81Å; A126-N129 PolarHBondContact O-N 3.03Å; A126-N129 VanDerWaalsContact O-N 3.1Å; Y127-N129 PolarHBondContact O-N 3.32Å; N129-R254 VanDerWaalsContact CB-CZ 3.47Å
130	G	95.8	Very high	95.9	Very high	10 Å²	10	34.8 Å²	34.8	10%	0.103	17%	0.174	C	C	.	.			trans	-78.3	150.5	172.6	0	0	0	0	0	111.9	I125 R128 D181	I125-G130 PolarHBondContact O-N 2.93Å; R128-G130 PolarHBondContact O-N 2.81Å; G130-D181 WeakPolarHBondContact CA-OD2 3.26Å
131	I	97.3	Very high	95.7	Very high	34 Å²	34	33.4 Å²	33.4	17%	0.174	17%	0.166	C	C	.	.			trans	-79.4	120.6	178.9	-65.1	177.7	0	0	0	109.3	Y155 R178 P180 D181 L182	I131-Y155 HydrophobicContact CG2-CD2 3.64Å; I131-Y155 HydrophobicContact CG2-CE2 3.79Å; I131-R178 HydrophobicContact CD1-CB 4.4Å; I131-R178 HydrophobicContact CD1-CG 3.89Å; I131-P180 HydrophobicContact CG2-CB 4.03Å; I131-D181 PolarHBondContact N-OD2 3.43Å; I131-D181 PolarHBondContact O-N 3.3Å; I131-L182 PolarHBondContact O-N 3.45Å
132	I	98.3	Very high	95.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.1	176.7	-56.5	174.4	0	0	0	109.1	V122 I125 A126 F134 E154 Y155 L182 I184 I247	V122-I132 HydrophobicContact CG1-CD1 4.29Å; I125-I132 HydrophobicContact CG2-CD1 4.41Å; I125-I132 HydrophobicContact CG2-CG1 4.01Å; A126-I132 HydrophobicContact CB-CD1 4.24Å; I132-F134 HydrophobicContact CG2-CE2 4.17Å; I132-E154 HydrophobicContact CB-CB 4.47Å; I132-E154 HydrophobicContact CB-CG 4.09Å; I132-E154 PolarHBondContact N-OE2 2.68Å; I132-Y155 PolarHBondContact O-N 3.14Å; I132-L182 WeakPolarHBondContact CA-O 3.45Å; I132-L182 HydrophobicContact CD1-CD2 4.46Å; I132-L182 HydrophobicContact CG1-CB 4.42Å; I132-L182 HydrophobicContact CG1-CD2 4.3Å; I132-L182 HydrophobicContact CG2-CD2 4.37Å; I132-I184 HydrophobicContact CG2-CD1 3.51Å; I132-I184 HydrophobicContact CG2-CG1 3.9Å; I132-I247 HydrophobicContact CD1-CD1 3.93Å; I132-I247 HydrophobicContact CD1-CG1 3.81Å; I132-I247 HydrophobicContact CD1-CG2 4.37Å
133	L	97.9	Very high	95.5	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.115	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.1	175.9	-177.7	68.3	0	0	0	110.6	V135 H157 F166 P180 L182 I183 I184	L133-V135 HydrophobicContact CD2-CG2 3.91Å; L133-V135 HydrophobicContact CG-CG2 3.91Å; L133-H157 HydrophobicContact CD1-CB 4.22Å; L133-F166 HydrophobicContact CD2-CE1 4.34Å; L133-F166 HydrophobicContact CD2-CZ 3.87Å; L133-P180 HydrophobicContact CB-CB 3.86Å; L133-P180 HydrophobicContact CB-CG 4.23Å; L133-P180 HydrophobicContact CD2-CG 4.21Å; L133-L182 PolarHBondContact N-O 2.96Å; L133-I183 HydrophobicContact CB-CG1 4.47Å; L133-I183 WeakPolarHBondContact O-CA 3.19Å; L133-I184 PolarHBondContact O-N 3.09Å
134	F	98	Very high	95.4	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.4	169.1	-71.6	-91.5	0	0	0	110.5	I132 V145 A149 E154 Y155 S156 H157 I184 L240 F243 I247	I132-F134 HydrophobicContact CG2-CE2 4.17Å; F134-V145 HydrophobicContact CB-CG1 3.73Å; F134-V145 HydrophobicContact CD1-CG1 4.44Å; F134-V145 HydrophobicContact CG-CG1 4.41Å; F134-A149 HydrophobicContact CB-CB 4.41Å; F134-A149 HydrophobicContact CD2-CB 3.67Å; F134-A149 HydrophobicContact CE2-CB 4.28Å; F134-A149 HydrophobicContact CG-CB 4.23Å; F134-E154 HydrophobicContact CD2-CB 4.29Å; F134-E154 HydrophobicContact CE2-CB 4Å; F134-E154 HydrophobicContact CE2-CG 4.44Å; F134-Y155 PolarHBondContact N-O 2.81Å; F134-S156 CarbonylContact O-C 3.58Å; F134-S156 WeakPolarHBondContact O-CA 3.49Å; F134-H157 PolarHBondContact O-N 3.13Å; F134-I184 CarbonylContact C-O 3.58Å; F134-I184 WeakPolarHBondContact CA-O 3.35Å; F134-I184 HydrophobicContact CD1-CB 3.98Å; F134-I184 HydrophobicContact CD1-CG2 3.98Å; F134-I184 HydrophobicContact CE1-CB 4.1Å; F134-I184 HydrophobicContact CE1-CD1 3.87Å; F134-I184 HydrophobicContact CE1-CG2 3.92Å; F134-I184 HydrophobicContact CZ-CD1 3.87Å; F134-L240 HydrophobicContact CD1-CD2 4.42Å; F134-L240 HydrophobicContact CE1-CD2 4.36Å; F134-F243 HydrophobicContact CE1-CB 4.16Å; F134-F243 HydrophobicContact CZ-CB 4.3Å; F134-I247 HydrophobicContact CE2-CD1 3.97Å; F134-I247 HydrophobicContact CZ-CD1 3.7Å
135	V	96.5	Very high	95.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.7	178.3	-178.2	0	0	0	0	109.9	L133 H157 W161 I183 I184 M185 T186	L133-V135 HydrophobicContact CD2-CG2 3.91Å; L133-V135 HydrophobicContact CG-CG2 3.91Å; V135-H157 WeakPolarHBondContact CA-O 3.36Å; V135-H157 HydrophobicContact CG2-CB 4.43Å; V135-W161 HydrophobicContact CG2-CZ3 4.41Å; V135-I183 HydrophobicContact CB-CG2 4.36Å; V135-I183 HydrophobicContact CG2-CG2 3.82Å; V135-I184 PolarHBondContact N-O 3.26Å; V135-M185 HydrophobicContact CB-CE 4.41Å; V135-M185 HydrophobicContact CB-CG 4.23Å; V135-M185 HydrophobicContact CG1-CE 3.99Å; V135-M185 WeakPolarHBondContact O-CA 3.42Å; V135-T186 PolarHBondContact O-N 3.46Å
136	T	94.9	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.			trans	-149.9	144.5	168.8	-175.4	0	0	0	0	109.7	D138 V145 H157 C158 T186 H187	T136-D138 PolarHBondContact OG1-N 3.36Å; T136-V145 HydrophobicContact CG2-CB 3.82Å; T136-V145 HydrophobicContact CG2-CG1 4Å; T136-V145 HydrophobicContact CG2-CG2 3.72Å; T136-H157 PolarHBondContact N-O 2.9Å; T136-C158 HydrophobicContact CG2-CB 3.71Å; T136-C158 CarbonylContact O-C 3.52Å; T136-C158 VanDerWaalsContact O-CA 3.25Å; T136-C158 WeakPolarHBondContact O-CA 3.24Å; T136-T186 WeakPolarHBondContact CB-OG1 3.28Å; T136-T186 PolarHBondContact OG1-OG1 3.16Å; T136-H187 PolarHBondContact OG1-ND1 2.99Å
137	Q	92.8	Very high	95.5	Very high	44 Å²	44	44.2 Å²	44.2	21%	0.206	23%	0.225	C	C	.	.			trans	-109.9	-7.2	170	-169.8	169.2	-20.1	0	0	112	R139 H196	Q137-R139 PolarHBondContact O-N 2.98Å; Q137-H196 PolarHBondContact OE1-CD2 2.94Å
138	D	92.9	Very high	95.6	Very high	43 Å²	43	44.4 Å²	44.4	23%	0.23	23%	0.226	C	C	.	.			trans	-69.8	129.6	177.4	172	45.6	0	0	0	111	T136 A140 T141 M142 H187	T136-D138 PolarHBondContact OG1-N 3.36Å; D138-A140 PolarHBondContact OD1-N 3.4Å; D138-A140 WeakPolarHBondContact OD2-CB 3.46Å; D138-A140 PolarHBondContact OD2-N 3.49Å; D138-T141 VanDerWaalsContact OD2-CB 3.31Å; D138-T141 WeakPolarHBondContact OD2-CB 3.31Å; D138-T141 VanDerWaalsContact OD2-CG2 3.26Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.38Å; D138-T141 PolarHBondContact OD2-N 2.92Å; D138-T141 PolarHBondContact OD2-OG1 3.44Å; D138-M142 WeakPolarHBondContact O-CB 3.23Å; D138-M142 PolarHBondContact O-N 3.27Å; D138-M142 VanDerWaalsContact O-N 3.13Å; D138-H187 WeakPolarHBondContact CB-NE2 3.39Å; D138-H187 IonicContact OD2-CE1 2.68Å; D138-H187 IonicContact OD2-NE2 3.67Å
139	R	92.5	Very high	95.8	Very high	203 Å²	203	40.2 Å²	40.2	77%	0.766	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-28.6	-177.6	-61.8	-174.5	-174.7	-177.3	2.7	112.2	Q137 T141 M142	Q137-R139 PolarHBondContact O-N 2.98Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-M142 HydrophobicContact CG-CE 4.33Å
140	A	92.1	Very high	95.9	Very high	83 Å²	83	44 Å²	44	69%	0.686	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.6	-178.3	0	0	0	0	0	111.4	D138	D138-A140 PolarHBondContact OD1-N 3.4Å; D138-A140 WeakPolarHBondContact OD2-CB 3.46Å; D138-A140 PolarHBondContact OD2-N 3.49Å
141	T	93	Very high	96	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-9.4	-172.4	62.2	0	0	0	0	115	D138 R139 H143 M144 V145 H187 I236	D138-T141 VanDerWaalsContact OD2-CB 3.31Å; D138-T141 WeakPolarHBondContact OD2-CB 3.31Å; D138-T141 VanDerWaalsContact OD2-CG2 3.26Å; D138-T141 WeakPolarHBondContact OD2-CG2 3.38Å; D138-T141 PolarHBondContact OD2-N 2.92Å; D138-T141 PolarHBondContact OD2-OG1 3.44Å; R139-T141 VanDerWaalsContact C-N 3.33Å; T141-H143 VanDerWaalsContact C-N 3.26Å; T141-H143 PolarHBondContact O-N 3Å; T141-H143 VanDerWaalsContact O-N 3.12Å; T141-M144 HydrophobicContact CG2-CE 3.3Å; T141-M144 WeakPolarHBondContact O-CA 3.39Å; T141-M144 WeakPolarHBondContact O-CB 3.49Å; T141-M144 PolarHBondContact O-N 3.28Å; T141-V145 PolarHBondContact O-N 3.01Å; T141-H187 PolarHBondContact OG1-CE1 2.88Å; T141-I236 HydrophobicContact CG2-CB 4.24Å; T141-I236 HydrophobicContact CG2-CD1 3.2Å; T141-I236 HydrophobicContact CG2-CG1 4.24Å; T141-I236 HydrophobicContact CG2-CG2 3.96Å
142	M	94.7	Very high	96	Very high	41 Å²	41	45.1 Å²	45.1	20%	0.202	23%	0.227	C	C	.	.	H	α-helix	trans	-36.9	-53	172.5	179.9	179.8	-63.2	0	0	113.6	D138 R139 M144 V145 E146 C158 R159	D138-M142 WeakPolarHBondContact O-CB 3.23Å; D138-M142 PolarHBondContact O-N 3.27Å; D138-M142 VanDerWaalsContact O-N 3.13Å; R139-M142 HydrophobicContact CG-CE 4.33Å; M142-M144 PolarHBondContact O-N 3.46Å; M142-V145 PolarHBondContact O-N 2.99Å; M142-E146 WeakPolarHBondContact O-CG 3.26Å; M142-E146 PolarHBondContact O-N 3.13Å; M142-C158 HydrophobicContact CB-CB 4.44Å; M142-C158 WeakPolarHBondContact CE-O 3.31Å; M142-C158 HydrophobicContact CG-CB 3.64Å; M142-R159 VanDerWaalsContact CG-NH1 3.34Å; M142-R159 PolarHBondContact SD-NH1 2.92Å
143	H	96.2	Very high	95.9	Very high	136 Å²	136	47.7 Å²	47.7	63%	0.63	25%	0.253	S	S	*	.	H	α-helix	trans	-66.1	-37.4	-177.5	-173.4	63.4	0	0	0	112.7	T141 A147	T141-H143 VanDerWaalsContact C-N 3.26Å; T141-H143 PolarHBondContact O-N 3Å; T141-H143 VanDerWaalsContact O-N 3.12Å; H143-A147 VanDerWaalsContact O-CB 3.25Å; H143-A147 WeakPolarHBondContact O-CB 3.4Å; H143-A147 PolarHBondContact O-N 3.35Å
144	M	96.6	Very high	95.9	Very high	58 Å²	58	47.7 Å²	47.7	29%	0.286	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-42	178	-63.6	-172.4	-78.4	0	0	111.2	T141 M142 A147 A148 P233 L240	T141-M144 HydrophobicContact CG2-CE 3.3Å; T141-M144 WeakPolarHBondContact O-CA 3.39Å; T141-M144 WeakPolarHBondContact O-CB 3.49Å; T141-M144 PolarHBondContact O-N 3.28Å; M142-M144 PolarHBondContact O-N 3.46Å; M144-A147 PolarHBondContact O-N 3.21Å; M144-A148 VanDerWaalsContact O-CB 3.29Å; M144-A148 WeakPolarHBondContact O-CB 3.4Å; M144-A148 PolarHBondContact O-N 2.84Å; M144-P233 HydrophobicContact CE-CB 3.99Å; M144-L240 HydrophobicContact CB-CD1 3.89Å
145	V	97.3	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-46.5	177.9	179.8	0	0	0	0	111	F134 T136 T141 M142 A147 A148 A149 T186 L240	F134-V145 HydrophobicContact CB-CG1 3.73Å; F134-V145 HydrophobicContact CD1-CG1 4.44Å; F134-V145 HydrophobicContact CG-CG1 4.41Å; T136-V145 HydrophobicContact CG2-CB 3.82Å; T136-V145 HydrophobicContact CG2-CG1 4Å; T136-V145 HydrophobicContact CG2-CG2 3.72Å; T141-V145 PolarHBondContact O-N 3.01Å; M142-V145 PolarHBondContact O-N 2.99Å; V145-A147 PolarHBondContact O-N 2.99Å; V145-A148 PolarHBondContact O-N 3.16Å; V145-A149 PolarHBondContact O-N 3.19Å; V145-T186 HydrophobicContact CG2-CG2 4.02Å; V145-L240 HydrophobicContact CG2-CD1 4.04Å; V145-L240 HydrophobicContact CG2-CD2 4.22Å
146	E	97.2	Very high	95.9	Very high	31 Å²	31	56.6 Å²	56.6	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.6	-72.4	-176.9	179.6	0	0	112.5	M142 A148 R150 C158 R159	M142-E146 WeakPolarHBondContact O-CG 3.26Å; M142-E146 PolarHBondContact O-N 3.13Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-R150 VanDerWaalsContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CB 3.35Å; E146-R150 PolarHBondContact O-N 3.38Å; E146-C158 HydrophobicContact CG-CB 3.99Å; E146-C158 VanDerWaalsContact CG-SG 3.52Å; E146-R159 IonicContact OE1-CZ 2.86Å; E146-R159 IonicContact OE1-NH1 3.74Å; E146-R159 PolarHBondContact OE1-NH1 2.7Å; E146-R159 IonicContact OE1-NH2 3.13Å; E146-R159 PolarHBondContact OE1-NH2 3.43Å; E146-R159 IonicContact OE2-NH2 2.82Å
147	A	97.7	Very high	95.9	Very high	41 Å²	41	59 Å²	59	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176.8	0	0	0	0	0	111.2	H143 M144 V145 S151	H143-A147 VanDerWaalsContact O-CB 3.25Å; H143-A147 WeakPolarHBondContact O-CB 3.4Å; H143-A147 PolarHBondContact O-N 3.35Å; M144-A147 PolarHBondContact O-N 3.21Å; V145-A147 PolarHBondContact O-N 2.99Å; A147-S151 WeakPolarHBondContact O-CB 3.36Å; A147-S151 PolarHBondContact O-N 3.14Å
148	A	97.7	Very high	96	Very high	4 Å²	4	57 Å²	57	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-49.5	177.7	0	0	0	0	0	112	M144 V145 E146 R150 S151 V152 L240 K244	M144-A148 VanDerWaalsContact O-CB 3.29Å; M144-A148 WeakPolarHBondContact O-CB 3.4Å; M144-A148 PolarHBondContact O-N 2.84Å; V145-A148 PolarHBondContact O-N 3.16Å; E146-A148 VanDerWaalsContact C-N 3.32Å; A148-R150 PolarHBondContact O-N 3.17Å; A148-S151 PolarHBondContact O-N 3.18Å; A148-S151 PolarHBondContact O-OG 2.96Å; A148-V152 PolarHBondContact O-N 3.03Å; A148-L240 HydrophobicContact CB-CB 4.2Å; A148-L240 HydrophobicContact CB-CD1 4.27Å; A148-L240 HydrophobicContact CB-CD2 4.05Å; A148-L240 HydrophobicContact CB-CG 4.42Å; A148-K244 HydrophobicContact CB-CD 3.91Å; A148-K244 HydrophobicContact CB-CG 4.17Å
149	A	97.7	Very high	96.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-47.4	177.3	0	0	0	0	0	111.6	F134 V145 S151 V152 G153 E154	F134-A149 HydrophobicContact CB-CB 4.41Å; F134-A149 HydrophobicContact CD2-CB 3.67Å; F134-A149 HydrophobicContact CE2-CB 4.28Å; F134-A149 HydrophobicContact CG-CB 4.23Å; V145-A149 PolarHBondContact O-N 3.19Å; A149-S151 VanDerWaalsContact C-N 3.3Å; A149-S151 PolarHBondContact O-N 3.21Å; A149-V152 PolarHBondContact O-N 3.3Å; A149-G153 PolarHBondContact O-N 3.29Å; A149-E154 CarbonylContact C-O 3.43Å; A149-E154 PolarHBondContact O-N 3.42Å
150	R	97.7	Very high	96.1	Very high	169 Å²	169	59 Å²	59	64%	0.638	31%	0.307	S	S	*	.	H	α-helix	trans	-59.4	-38.7	177.2	-170.8	-178.7	-64.3	106.8	1.4	112.3	E146 A148 V152 G153	E146-R150 VanDerWaalsContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CB 3.35Å; E146-R150 PolarHBondContact O-N 3.38Å; A148-R150 PolarHBondContact O-N 3.17Å; R150-V152 PolarHBondContact O-N 3.16Å; R150-G153 PolarHBondContact O-N 3.43Å
151	S	97.6	Very high	96.2	Very high	53 Å²	53	55.7 Å²	55.7	37%	0.371	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-18.9	-178.5	77.1	0	0	0	0	114.9	A147 A148 A149 K244 R248	A147-S151 WeakPolarHBondContact O-CB 3.36Å; A147-S151 PolarHBondContact O-N 3.14Å; A148-S151 PolarHBondContact O-N 3.18Å; A148-S151 PolarHBondContact O-OG 2.96Å; A149-S151 VanDerWaalsContact C-N 3.3Å; A149-S151 PolarHBondContact O-N 3.21Å; S151-K244 WeakPolarHBondContact OG-CD 3.39Å; S151-R248 PolarHBondContact O-NH2 3.12Å
152	V	96.5	Very high	96.2	Very high	15 Å²	15	64.7 Å²	64.7	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-105.7	-14.5	179.6	-178.4	0	0	0	0	111.5	A148 A149 R150 E154 K244 I247 K251	A148-V152 PolarHBondContact O-N 3.03Å; A149-V152 PolarHBondContact O-N 3.3Å; R150-V152 PolarHBondContact O-N 3.16Å; V152-E154 HydrophobicContact CB-CG 4.49Å; V152-E154 HydrophobicContact CG1-CG 4.05Å; V152-K244 HydrophobicContact CG2-CB 3.83Å; V152-K244 HydrophobicContact CG2-CD 4.34Å; V152-K244 HydrophobicContact CG2-CG 3.57Å; V152-I247 HydrophobicContact CG1-CB 3.67Å; V152-I247 HydrophobicContact CG1-CD1 4.26Å; V152-I247 HydrophobicContact CG1-CG2 3.18Å; V152-K251 PolarHBondContact O-NZ 3.45Å
153	G	96.4	Very high	96	Very high	54 Å²	54	69.4 Å²	69.4	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	33.3	-174.2	0	0	0	0	0	112.8	A149 R150	A149-G153 PolarHBondContact O-N 3.29Å; R150-G153 PolarHBondContact O-N 3.43Å
154	E	97.1	Very high	95.9	Very high	23 Å²	23	63.3 Å²	63.3	11%	0.107	31%	0.307	C	S	.	.			trans	-107.4	170.5	171.6	-64.3	-55.6	149.1	0	0	110.9	I132 F134 A149 V152 I247 K251	I132-E154 HydrophobicContact CB-CB 4.47Å; I132-E154 HydrophobicContact CB-CG 4.09Å; I132-E154 PolarHBondContact N-OE2 2.68Å; F134-E154 HydrophobicContact CD2-CB 4.29Å; F134-E154 HydrophobicContact CE2-CB 4Å; F134-E154 HydrophobicContact CE2-CG 4.44Å; A149-E154 CarbonylContact C-O 3.43Å; A149-E154 PolarHBondContact O-N 3.42Å; V152-E154 HydrophobicContact CB-CG 4.49Å; V152-E154 HydrophobicContact CG1-CG 4.05Å; E154-I247 HydrophobicContact CG-CD1 4.26Å; E154-I247 HydrophobicContact CG-CG2 4.27Å; E154-K251 WeakPolarHBondContact OE1-CE 3.15Å; E154-K251 IonicContact OE1-NZ 2.62Å; E154-K251 PolarHBondContact OE1-NZ 2.91Å
155	Y	97.7	Very high	95.7	Very high	143 Å²	143	61.6 Å²	61.6	56%	0.561	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	155.2	-176.9	-54.5	-83.5	0	0	0	111.6	I131 I132 F134	I131-Y155 HydrophobicContact CG2-CD2 3.64Å; I131-Y155 HydrophobicContact CG2-CE2 3.79Å; I132-Y155 PolarHBondContact O-N 3.14Å; F134-Y155 PolarHBondContact N-O 2.81Å
156	S	97.3	Very high	95.6	Very high	45 Å²	45	62 Å²	62	32%	0.315	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.6	172.1	58.4	0	0	0	0	111.5	F134	F134-S156 CarbonylContact O-C 3.58Å; F134-S156 WeakPolarHBondContact O-CA 3.49Å
157	H	96	Very high	95.4	Very high	50 Å²	50	64 Å²	64	23%	0.231	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	99	170.2	-173.5	91.6	0	0	0	108.5	L133 F134 V135 T136 R159 W161	L133-H157 HydrophobicContact CD1-CB 4.22Å; F134-H157 PolarHBondContact O-N 3.13Å; V135-H157 WeakPolarHBondContact CA-O 3.36Å; V135-H157 HydrophobicContact CG2-CB 4.43Å; T136-H157 PolarHBondContact N-O 2.9Å; H157-R159 PolarHBondContact NE2-O 3.05Å; H157-W161 HydrophobicContact CB-CZ3 4.42Å; H157-W161 AromaticContact CD2-CE3 3.42Å; H157-W161 VanDerWaalsContact CD2-CE3 3.42Å; H157-W161 AromaticContact CD2-CZ3 3.78Å; H157-W161 AromaticContact CG-CZ3 4Å; H157-W161 AromaticContact NE2-CE3 3.62Å
158	C	94.8	Very high	95.2	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.02	32%	0.317	C	S	.	.			trans	-117.1	22.7	-176.3	-45.6	0	0	0	0	112.5	T136 M142 E146	T136-C158 HydrophobicContact CG2-CB 3.71Å; T136-C158 CarbonylContact O-C 3.52Å; T136-C158 VanDerWaalsContact O-CA 3.25Å; T136-C158 WeakPolarHBondContact O-CA 3.24Å; M142-C158 HydrophobicContact CB-CB 4.44Å; M142-C158 WeakPolarHBondContact CE-O 3.31Å; M142-C158 HydrophobicContact CG-CB 3.64Å; E146-C158 HydrophobicContact CG-CB 3.99Å; E146-C158 VanDerWaalsContact CG-SG 3.52Å
159	R	93.6	Very high	95	Very high	129 Å²	129	65.7 Å²	65.7	49%	0.487	32%	0.319	S	S	.	.	S	Bend	trans	-114.1	178.1	178.8	-64.1	-65.2	174.6	-72.8	-9.1	108.8	M142 E146 H157 W161	M142-R159 VanDerWaalsContact CG-NH1 3.34Å; M142-R159 PolarHBondContact SD-NH1 2.92Å; E146-R159 IonicContact OE1-CZ 2.86Å; E146-R159 IonicContact OE1-NH1 3.74Å; E146-R159 PolarHBondContact OE1-NH1 2.7Å; E146-R159 IonicContact OE1-NH2 3.13Å; E146-R159 PolarHBondContact OE1-NH2 3.43Å; E146-R159 IonicContact OE2-NH2 2.82Å; H157-R159 PolarHBondContact NE2-O 3.05Å; R159-W161 PolarHBondContact O-N 3.35Å; R159-W161 VanDerWaalsContact O-N 3.14Å
160	Q	92.7	Very high	94.8	Very high	158 Å²	158	69.3 Å²	69.3	74%	0.738	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-54.7	122.1	176.7	-177.2	178.7	4.3	0	0	110.4	R162	Q160-R162 PolarHBondContact O-N 2.9Å
161	W	94	Very high	94.6	Very high	14 Å²	14	66.4 Å²	66.4	5%	0.053	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64	132.2	175.6	-168.2	-98.7	0	0	0	109.8	V135 H157 R159 T165 F166 H196 A198 E201	V135-W161 HydrophobicContact CG2-CZ3 4.41Å; H157-W161 HydrophobicContact CB-CZ3 4.42Å; H157-W161 AromaticContact CD2-CE3 3.42Å; H157-W161 VanDerWaalsContact CD2-CE3 3.42Å; H157-W161 AromaticContact CD2-CZ3 3.78Å; H157-W161 AromaticContact CG-CZ3 4Å; H157-W161 AromaticContact NE2-CE3 3.62Å; R159-W161 PolarHBondContact O-N 3.35Å; R159-W161 VanDerWaalsContact O-N 3.14Å; W161-T165 HydrophobicContact CH2-CG2 4.08Å; W161-T165 HydrophobicContact CZ2-CG2 4.12Å; W161-F166 HydrophobicContact CH2-CD2 4.08Å; W161-F166 HydrophobicContact CH2-CE1 4.21Å; W161-F166 AromaticContact CH2-CE2 3.47Å; W161-F166 HydrophobicContact CH2-CE2 3.47Å; W161-F166 VanDerWaalsContact CH2-CE2 3.47Å; W161-F166 AromaticContact CH2-CZ 3.57Å; W161-F166 HydrophobicContact CH2-CZ 3.57Å; W161-F166 AromaticContact CZ2-CD2 3.86Å; W161-F166 HydrophobicContact CZ2-CD2 3.86Å; W161-F166 AromaticContact CZ2-CE2 3.69Å; W161-F166 HydrophobicContact CZ2-CE2 3.69Å; W161-F166 HydrophobicContact CZ2-CG 4.47Å; W161-F166 HydrophobicContact CZ2-CZ 4.2Å; W161-H196 AromaticContact CD2-CE1 3.71Å; W161-H196 AromaticContact CE3-CE1 3.73Å; W161-H196 AromaticContact CG-CE1 3.68Å; W161-A198 HydrophobicContact CD2-CB 3.92Å; W161-A198 HydrophobicContact CE3-CB 4.02Å; W161-A198 HydrophobicContact CH2-CB 3.74Å; W161-A198 HydrophobicContact CZ2-CB 3.61Å; W161-A198 HydrophobicContact CZ3-CB 3.94Å; W161-E201 PolarHBondContact NE1-OE1 3.07Å
162	R	93	Very high	94.3	Very high	191 Å²	191	67.6 Å²	67.6	72%	0.721	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-99.6	119.1	172	-66.7	-173.8	-179.8	175	0.1	108.3	Q160 G164 T165 K172	Q160-R162 PolarHBondContact O-N 2.9Å; R162-G164 PolarHBondContact O-N 2.95Å; R162-T165 PolarHBondContact O-N 3.32Å; R162-T165 PolarHBondContact O-OG1 3.39Å; R162-K172 PolarHBondContact O-NZ 3.45Å
163	Q	92.2	Very high	94.1	Very high	140 Å²	140	72.1 Å²	72.1	65%	0.654	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	130.2	175.2	-73.1	-179.9	10.3	0	0	112.9	K172 E197	Q163-K172 VanDerWaalsContact C-NZ 3.28Å; Q163-K172 WeakPolarHBondContact O-CE 3.31Å; Q163-K172 PolarHBondContact O-NZ 2.99Å; Q163-E197 VanDerWaalsContact CG-OE1 3.32Å; Q163-E197 WeakPolarHBondContact CG-OE1 3.48Å; Q163-E197 WeakPolarHBondContact CG-OE2 3.4Å; Q163-E197 PolarHBondContact NE2-OE1 3.44Å
164	G	92.6	Very high	94	Very high	9 Å²	9	72.8 Å²	72.8	9%	0.093	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	18.1	180	0	0	0	0	0	114.2	R162 F166 T167 D168 K172 E201	R162-G164 PolarHBondContact O-N 2.95Å; G164-F166 PolarHBondContact O-N 3.2Å; G164-T167 WeakPolarHBondContact CA-OG1 3.35Å; G164-D168 CarbonylContact O-C 3.58Å; G164-D168 WeakPolarHBondContact O-CA 3.37Å; G164-D168 WeakPolarHBondContact O-CB 3.32Å; G164-D168 PolarHBondContact O-N 2.99Å; G164-K172 VanDerWaalsContact C-CE 3.4Å; G164-K172 WeakPolarHBondContact O-CD 3.26Å; G164-K172 VanDerWaalsContact O-CE 3.26Å; G164-K172 WeakPolarHBondContact O-CE 3.39Å; G164-E201 PolarHBondContact N-OE1 3.3Å
165	T	93.8	Very high	93.8	Very high	22 Å²	22	75 Å²	75	14%	0.135	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-34.9	178.3	-67.6	0	0	0	0	111.3	W161 R162 K172 F173 E201	W161-T165 HydrophobicContact CH2-CG2 4.08Å; W161-T165 HydrophobicContact CZ2-CG2 4.12Å; R162-T165 PolarHBondContact O-N 3.32Å; R162-T165 PolarHBondContact O-OG1 3.39Å; T165-K172 VanDerWaalsContact N-NZ 3.12Å; T165-K172 PolarHBondContact OG1-NZ 3.21Å; T165-F173 HydrophobicContact CG2-CZ 4.33Å; T165-E201 PolarHBondContact N-OE2 2.89Å
166	F	93.6	Very high	93.5	Very high	8 Å²	8	76.6 Å²	76.6	4%	0.035	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-43.7	172.8	-59.3	-45.3	0	0	0	113.3	L133 W161 G164 D168 H179 P180 I183 E201 M205 I207	L133-F166 HydrophobicContact CD2-CE1 4.34Å; L133-F166 HydrophobicContact CD2-CZ 3.87Å; W161-F166 HydrophobicContact CH2-CD2 4.08Å; W161-F166 HydrophobicContact CH2-CE1 4.21Å; W161-F166 AromaticContact CH2-CE2 3.47Å; W161-F166 HydrophobicContact CH2-CE2 3.47Å; W161-F166 VanDerWaalsContact CH2-CE2 3.47Å; W161-F166 AromaticContact CH2-CZ 3.57Å; W161-F166 HydrophobicContact CH2-CZ 3.57Å; W161-F166 AromaticContact CZ2-CD2 3.86Å; W161-F166 HydrophobicContact CZ2-CD2 3.86Å; W161-F166 AromaticContact CZ2-CE2 3.69Å; W161-F166 HydrophobicContact CZ2-CE2 3.69Å; W161-F166 HydrophobicContact CZ2-CG 4.47Å; W161-F166 HydrophobicContact CZ2-CZ 4.2Å; G164-F166 PolarHBondContact O-N 3.2Å; F166-D168 PolarHBondContact O-N 3.46Å; F166-H179 AromaticContact CD1-ND1 3.68Å; F166-H179 PolarHBondContact O-CE1 2.9Å; F166-H179 VanDerWaalsContact O-CE1 3.24Å; F166-P180 HydrophobicContact CE1-CG 3.64Å; F166-P180 HydrophobicContact CZ-CG 3.78Å; F166-I183 HydrophobicContact CE2-CD1 3.43Å; F166-I183 VanDerWaalsContact CE2-CD1 3.43Å; F166-I183 HydrophobicContact CZ-CD1 3.65Å; F166-I183 HydrophobicContact CZ-CG1 4.36Å; F166-E201 HydrophobicContact CB-CB 4.31Å; F166-E201 HydrophobicContact CD2-CB 3.89Å; F166-E201 PolarHBondContact N-OE2 2.99Å; F166-M205 HydrophobicContact CB-CG 3.87Å; F166-I207 HydrophobicContact CG-CD1 4.49Å
167	T	93.3	Very high	93.3	Very high	73 Å²	73	77.3 Å²	77.3	45%	0.448	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.7	-173.4	61.3	0	0	0	0	113.7	G164 E201 K204	G164-T167 WeakPolarHBondContact CA-OG1 3.35Å; T167-E201 HydrophobicContact CG2-CG 4.28Å; T167-K204 HydrophobicContact CG2-CB 4.48Å; T167-K204 HydrophobicContact CG2-CD 4.24Å
168	D	94.1	Very high	93.3	Very high	71 Å²	71	82.4 Å²	82.4	38%	0.38	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	36.2	-179.7	-167.7	30	0	0	0	111.5	G164 F166 T170 V171 K172	G164-D168 CarbonylContact O-C 3.58Å; G164-D168 WeakPolarHBondContact O-CA 3.37Å; G164-D168 WeakPolarHBondContact O-CB 3.32Å; G164-D168 PolarHBondContact O-N 2.99Å; F166-D168 PolarHBondContact O-N 3.46Å; D168-T170 VanDerWaalsContact C-N 3.3Å; D168-T170 PolarHBondContact O-N 3.47Å; D168-V171 PolarHBondContact O-N 2.93Å; D168-V171 VanDerWaalsContact OD1-CB 3.24Å; D168-V171 WeakPolarHBondContact OD1-CB 3.39Å; D168-V171 WeakPolarHBondContact OD1-CG2 3.21Å; D168-K172 WeakPolarHBondContact O-CB 3Å; D168-K172 WeakPolarHBondContact O-CG 3.25Å; D168-K172 PolarHBondContact O-N 3.35Å; D168-K172 VanDerWaalsContact O-N 3.09Å
169	S	92.8	Very high	93.3	Very high	10 Å²	10	84.3 Å²	84.3	7%	0.07	42%	0.421	C	S	.	.	H	α-helix	trans	-59.2	-39.6	-175.3	59.6	0	0	0	0	112.7	V171 K172 F173 H179	S169-V171 PolarHBondContact O-N 3.39Å; S169-K172 PolarHBondContact O-N 2.99Å; S169-F173 WeakPolarHBondContact O-CB 3.4Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 2.86Å; S169-H179 VanDerWaalsContact CB-CE1 3.47Å; S169-H179 WeakPolarHBondContact CB-CE1 3.19Å; S169-H179 PolarHBondContact OG-CE1 2.9Å; S169-H179 VanDerWaalsContact OG-CE1 3.32Å; S169-H179 PolarHBondContact OG-NE2 3.5Å; S169-H179 VanDerWaalsContact OG-NE2 3.15Å
170	T	93.6	Very high	93.5	Very high	75 Å²	75	78.9 Å²	78.9	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-41.9	-177.4	-59.1	0	0	0	0	111.9	D168 G174	D168-T170 VanDerWaalsContact C-N 3.3Å; D168-T170 PolarHBondContact O-N 3.47Å; T170-G174 VanDerWaalsContact O-CA 3.31Å; T170-G174 WeakPolarHBondContact O-CA 3.29Å; T170-G174 PolarHBondContact O-N 2.88Å
171	V	94.3	Very high	93.7	Very high	109 Å²	109	74.2 Å²	74.2	66%	0.661	38%	0.383	S	S	*	.	H	α-helix	trans	-73	-41	178.4	178.3	0	0	0	0	110.6	D168 S169	D168-V171 PolarHBondContact O-N 2.93Å; D168-V171 VanDerWaalsContact OD1-CB 3.24Å; D168-V171 WeakPolarHBondContact OD1-CB 3.39Å; D168-V171 WeakPolarHBondContact OD1-CG2 3.21Å; S169-V171 PolarHBondContact O-N 3.39Å
172	K	92	Very high	93.9	Very high	78 Å²	78	73.5 Å²	73.5	34%	0.339	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-40.7	-178.2	-74.9	-172.9	175	-161.7	0	114.5	R162 Q163 G164 T165 D168 S169	R162-K172 PolarHBondContact O-NZ 3.45Å; Q163-K172 VanDerWaalsContact C-NZ 3.28Å; Q163-K172 WeakPolarHBondContact O-CE 3.31Å; Q163-K172 PolarHBondContact O-NZ 2.99Å; G164-K172 VanDerWaalsContact C-CE 3.4Å; G164-K172 WeakPolarHBondContact O-CD 3.26Å; G164-K172 VanDerWaalsContact O-CE 3.26Å; G164-K172 WeakPolarHBondContact O-CE 3.39Å; T165-K172 VanDerWaalsContact N-NZ 3.12Å; T165-K172 PolarHBondContact OG1-NZ 3.21Å; D168-K172 WeakPolarHBondContact O-CB 3Å; D168-K172 WeakPolarHBondContact O-CG 3.25Å; D168-K172 PolarHBondContact O-N 3.35Å; D168-K172 VanDerWaalsContact O-N 3.09Å; S169-K172 PolarHBondContact O-N 2.99Å
173	F	92.3	Very high	94.1	Very high	110 Å²	110	64.5 Å²	64.5	48%	0.482	35%	0.346	S	S	.	.	H	α-helix	trans	-94.4	-13.4	-177.9	-62.8	-69.2	0	0	0	112.7	T165 S169 C175 I177	T165-F173 HydrophobicContact CG2-CZ 4.33Å; S169-F173 WeakPolarHBondContact O-CB 3.4Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 2.86Å; F173-C175 PolarHBondContact O-N 3.34Å; F173-I177 HydrophobicContact CB-CG2 3.89Å; F173-I177 HydrophobicContact CD2-CD1 3.48Å; F173-I177 VanDerWaalsContact CD2-CD1 3.48Å; F173-I177 HydrophobicContact CD2-CG1 4.11Å; F173-I177 HydrophobicContact CD2-CG2 4.15Å; F173-I177 HydrophobicContact CE2-CD1 3.47Å; F173-I177 VanDerWaalsContact CE2-CD1 3.47Å; F173-I177 HydrophobicContact CG-CD1 4.38Å; F173-I177 HydrophobicContact CG-CG2 4.1Å; F173-I177 HydrophobicContact CZ-CD1 4.33Å
174	G	93.4	Very high	94.4	Very high	68 Å²	68	57.8 Å²	57.8	70%	0.701	32%	0.315	S	S	*	.	S	Bend	trans	73.1	5.3	-178.5	0	0	0	0	0	114.2	T170	T170-G174 VanDerWaalsContact O-CA 3.31Å; T170-G174 WeakPolarHBondContact O-CA 3.29Å; T170-G174 PolarHBondContact O-N 2.88Å
175	C	92.9	Very high	94.6	Very high	70 Å²	70	57.4 Å²	57.4	47%	0.473	31%	0.311	S	S	.	.	S	Bend	trans	-150	162.8	177.6	64.2	0	0	0	0	110.5	F173 I177	F173-C175 PolarHBondContact O-N 3.34Å; C175-I177 PolarHBondContact O-N 2.82Å
176	Q	91.5	Very high	94.7	Very high	176 Å²	176	56.5 Å²	56.5	82%	0.822	31%	0.305	S	S	*	.			trans	-71.9	124.9	169.4	-68.7	-177.1	-24.5	0	0	109
177	I	93.8	Very high	94.7	Very high	60 Å²	60	56.8 Å²	56.8	31%	0.308	31%	0.307	S	S	.	.			trans	-111.8	156.1	-178.7	62.8	156.2	0	0	0	110.9	F173 C175	F173-I177 HydrophobicContact CB-CG2 3.89Å; F173-I177 HydrophobicContact CD2-CD1 3.48Å; F173-I177 VanDerWaalsContact CD2-CD1 3.48Å; F173-I177 HydrophobicContact CD2-CG1 4.11Å; F173-I177 HydrophobicContact CD2-CG2 4.15Å; F173-I177 HydrophobicContact CE2-CD1 3.47Å; F173-I177 VanDerWaalsContact CE2-CD1 3.47Å; F173-I177 HydrophobicContact CG-CD1 4.38Å; F173-I177 HydrophobicContact CG-CG2 4.1Å; F173-I177 HydrophobicContact CZ-CD1 4.33Å; C175-I177 PolarHBondContact O-N 2.82Å
178	R	94.9	Very high	94.8	Very high	156 Å²	156	53.4 Å²	53.4	59%	0.589	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-81.3	120.8	165.1	-176.4	174.7	169.7	-173.8	-6	108.9	I131 D181	I131-R178 HydrophobicContact CD1-CB 4.4Å; I131-R178 HydrophobicContact CD1-CG 3.89Å; R178-D181 IonicContact CZ-OD2 3.91Å; R178-D181 IonicContact NE-OD2 3.78Å; R178-D181 IonicContact NH2-OD2 3.9Å; R178-D181 PolarHBondContact NH2-OD2 3.38Å
179	H	94.6	Very high	94.8	Very high	43 Å²	43	51.2 Å²	51.2	20%	0.199	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71.7	157.5	174.9	-74.2	-73.3	0	0	0	111.7	F166 S169 I207	F166-H179 AromaticContact CD1-ND1 3.68Å; F166-H179 PolarHBondContact O-CE1 2.9Å; F166-H179 VanDerWaalsContact O-CE1 3.24Å; S169-H179 VanDerWaalsContact CB-CE1 3.47Å; S169-H179 WeakPolarHBondContact CB-CE1 3.19Å; S169-H179 PolarHBondContact OG-CE1 2.9Å; S169-H179 VanDerWaalsContact OG-CE1 3.32Å; S169-H179 PolarHBondContact OG-NE2 3.5Å; S169-H179 VanDerWaalsContact OG-NE2 3.15Å; H179-I207 HydrophobicContact CB-CD1 4.21Å
180	P	97.2	Very high	94.8	Very high	15 Å²	15	51.8 Å²	51.8	10%	0.097	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65	143.1	172.2	28.1	-33.7	0	0	0	110.8	I131 L133 F166 I183 I207	I131-P180 HydrophobicContact CG2-CB 4.03Å; L133-P180 HydrophobicContact CB-CB 3.86Å; L133-P180 HydrophobicContact CB-CG 4.23Å; L133-P180 HydrophobicContact CD2-CG 4.21Å; F166-P180 HydrophobicContact CE1-CG 3.64Å; F166-P180 HydrophobicContact CZ-CG 3.78Å; P180-I183 HydrophobicContact CG-CG1 4.28Å; P180-I207 HydrophobicContact CG-CD1 4.32Å; P180-I207 WeakPolarHBondContact O-CG2 3.34Å
181	D	97.7	Very high	94.6	Very high	60 Å²	60	51.6 Å²	51.6	32%	0.321	28%	0.279	S	S	.	.	S	Bend	trans	-85.4	-19.3	178	-60.1	-55.2	0	0	0	111.4	I125 G130 I131 R178 P208	I125-D181 HydrophobicContact CG2-CB 4.38Å; G130-D181 WeakPolarHBondContact CA-OD2 3.26Å; I131-D181 PolarHBondContact N-OD2 3.43Å; I131-D181 PolarHBondContact O-N 3.3Å; R178-D181 IonicContact CZ-OD2 3.91Å; R178-D181 IonicContact NE-OD2 3.78Å; R178-D181 IonicContact NH2-OD2 3.9Å; R178-D181 PolarHBondContact NH2-OD2 3.38Å; D181-P208 VanDerWaalsContact O-CD 3.28Å; D181-P208 WeakPolarHBondContact O-CD 3.22Å; D181-P208 WeakPolarHBondContact O-CG 3.34Å
182	L	98.1	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	140.9	175.7	170.6	65	0	0	0	111.2	F121 V122 I125 I131 I132 L133 I184 P208 V210	F121-L182 HydrophobicContact CD1-CD1 4.04Å; F121-L182 HydrophobicContact CD1-CD2 4.36Å; F121-L182 HydrophobicContact CE1-CD1 3.73Å; F121-L182 HydrophobicContact CE1-CD2 4.47Å; V122-L182 HydrophobicContact CB-CD2 4.25Å; V122-L182 HydrophobicContact CG1-CD2 4.49Å; V122-L182 HydrophobicContact CG2-CD2 3.75Å; I125-L182 HydrophobicContact CB-CD2 4.34Å; I125-L182 HydrophobicContact CG1-CB 4.34Å; I125-L182 HydrophobicContact CG1-CD2 4.27Å; I125-L182 HydrophobicContact CG2-CB 4Å; I125-L182 HydrophobicContact CG2-CD2 4.48Å; I131-L182 PolarHBondContact O-N 3.45Å; I132-L182 WeakPolarHBondContact CA-O 3.45Å; I132-L182 HydrophobicContact CD1-CD2 4.46Å; I132-L182 HydrophobicContact CG1-CB 4.42Å; I132-L182 HydrophobicContact CG1-CD2 4.3Å; I132-L182 HydrophobicContact CG2-CD2 4.37Å; L133-L182 PolarHBondContact N-O 2.96Å; L182-I184 HydrophobicContact CD2-CD1 4.32Å; L182-I184 HydrophobicContact CD2-CG1 4.13Å; L182-I184 HydrophobicContact CG-CG1 4.21Å; L182-P208 HydrophobicContact CD1-CB 4.5Å; L182-P208 HydrophobicContact CD1-CG 4.37Å; L182-P208 WeakPolarHBondContact CD1-O 3.29Å; L182-V210 HydrophobicContact CD1-CB 4.28Å; L182-V210 HydrophobicContact CD1-CG2 3.62Å
183	I	97.9	Very high	94.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.3	170.9	-64.9	163.3	0	0	0	109.5	L133 V135 F166 P180 M185 A202 I207 P208 V209 V210	L133-I183 HydrophobicContact CB-CG1 4.47Å; L133-I183 WeakPolarHBondContact O-CA 3.19Å; V135-I183 HydrophobicContact CB-CG2 4.36Å; V135-I183 HydrophobicContact CG2-CG2 3.82Å; F166-I183 HydrophobicContact CE2-CD1 3.43Å; F166-I183 VanDerWaalsContact CE2-CD1 3.43Å; F166-I183 HydrophobicContact CZ-CD1 3.65Å; F166-I183 HydrophobicContact CZ-CG1 4.36Å; P180-I183 HydrophobicContact CG-CG1 4.28Å; I183-M185 HydrophobicContact CG2-CG 3.82Å; I183-A202 HydrophobicContact CD1-CB 3.59Å; I183-I207 HydrophobicContact CD1-CB 4.42Å; I183-I207 HydrophobicContact CD1-CG2 3.76Å; I183-I207 HydrophobicContact CG1-CG2 3.93Å; I183-P208 PolarHBondContact N-O 2.63Å; I183-P208 VanDerWaalsContact N-O 3.07Å; I183-V209 HydrophobicContact CB-CG2 4.37Å; I183-V209 HydrophobicContact CG2-CG1 4.44Å; I183-V209 WeakPolarHBondContact O-CA 3.4Å; I183-V210 PolarHBondContact O-N 3.49Å
184	I	98.1	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.4	173.7	-58.2	177.3	0	0	0	108.7	V122 I132 L133 F134 V135 L182 V210 F243	V122-I184 HydrophobicContact CG1-CD1 4.08Å; V122-I184 HydrophobicContact CG2-CD1 3.94Å; V122-I184 HydrophobicContact CG2-CG1 4.44Å; I132-I184 HydrophobicContact CG2-CD1 3.51Å; I132-I184 HydrophobicContact CG2-CG1 3.9Å; L133-I184 PolarHBondContact O-N 3.09Å; F134-I184 CarbonylContact C-O 3.58Å; F134-I184 WeakPolarHBondContact CA-O 3.35Å; F134-I184 HydrophobicContact CD1-CB 3.98Å; F134-I184 HydrophobicContact CD1-CG2 3.98Å; F134-I184 HydrophobicContact CE1-CB 4.1Å; F134-I184 HydrophobicContact CE1-CD1 3.87Å; F134-I184 HydrophobicContact CE1-CG2 3.92Å; F134-I184 HydrophobicContact CZ-CD1 3.87Å; V135-I184 PolarHBondContact N-O 3.26Å; L182-I184 HydrophobicContact CD2-CD1 4.32Å; L182-I184 HydrophobicContact CD2-CG1 4.13Å; L182-I184 HydrophobicContact CG-CG1 4.21Å; I184-V210 CarbonylContact C-O 3.59Å; I184-V210 VanDerWaalsContact CA-O 3.31Å; I184-V210 WeakPolarHBondContact CA-O 3.39Å; I184-V210 HydrophobicContact CG1-CB 4.46Å; I184-F243 HydrophobicContact CD1-CD1 4.16Å; I184-F243 HydrophobicContact CD1-CG 4.4Å; I184-F243 HydrophobicContact CG2-CD1 4.37Å; I184-F243 HydrophobicContact CG2-CD2 3.93Å; I184-F243 HydrophobicContact CG2-CE1 4.17Å; I184-F243 HydrophobicContact CG2-CE2 3.69Å; I184-F243 HydrophobicContact CG2-CG 4.27Å; I184-F243 HydrophobicContact CG2-CZ 3.83Å
185	M	96.9	Very high	94.5	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.6	178.7	-59.5	-163.7	70.8	0	0	110.9	V135 I183 H187 T188 H196 I199 V209 V210 G211 V212	V135-M185 HydrophobicContact CB-CE 4.41Å; V135-M185 HydrophobicContact CB-CG 4.23Å; V135-M185 HydrophobicContact CG1-CE 3.99Å; V135-M185 WeakPolarHBondContact O-CA 3.42Å; I183-M185 HydrophobicContact CG2-CG 3.82Å; M185-H187 VanDerWaalsContact CE-O 3.31Å; M185-H187 WeakPolarHBondContact CE-O 3.24Å; M185-T188 HydrophobicContact CB-CG2 4.44Å; M185-H196 HydrophobicContact CE-CB 3.6Å; M185-I199 HydrophobicContact CE-CD1 4.46Å; M185-I199 HydrophobicContact CE-CG1 4.21Å; M185-I199 HydrophobicContact SD-CD1 4Å; M185-I199 HydrophobicContact SD-CG1 3.43Å; M185-I199 WeakPolarHBondContact SD-CG1 3.49Å; M185-V209 HydrophobicContact CG-CG1 4.03Å; M185-V209 HydrophobicContact SD-CG1 4.08Å; M185-V210 PolarHBondContact N-O 2.94Å; M185-G211 WeakPolarHBondContact O-CA 3.36Å; M185-V212 PolarHBondContact O-N 3.05Å
186	T	95.2	Very high	94.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	27%	0.268	C	S	.	.	S	Bend	trans	-84.2	-28.4	171.5	51.9	0	0	0	0	112.4	V135 T136 V145 D230 I236 L240	V135-T186 PolarHBondContact O-N 3.46Å; T136-T186 WeakPolarHBondContact CB-OG1 3.28Å; T136-T186 PolarHBondContact OG1-OG1 3.16Å; V145-T186 HydrophobicContact CG2-CG2 4.02Å; T186-D230 WeakPolarHBondContact O-CB 3.36Å; T186-I236 HydrophobicContact CG2-CG2 4.44Å; T186-L240 HydrophobicContact CG2-CD2 3.95Å; T186-L240 HydrophobicContact CG2-CG 4.46Å
187	H	94.8	Very high	94.7	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.065	24%	0.244	C	C	.	.			trans	-131.7	136.1	175.1	-59.9	70.9	0	0	0	107.6	T136 D138 T141 M185 D230	T136-H187 PolarHBondContact OG1-ND1 2.99Å; D138-H187 WeakPolarHBondContact CB-NE2 3.39Å; D138-H187 IonicContact OD2-CE1 2.68Å; D138-H187 IonicContact OD2-NE2 3.67Å; T141-H187 PolarHBondContact OG1-CE1 2.88Å; M185-H187 VanDerWaalsContact CE-O 3.31Å; M185-H187 WeakPolarHBondContact CE-O 3.24Å; H187-D230 PolarHBondContact CD2-O 2.83Å; H187-D230 IonicContact CD2-OD2 3.97Å; H187-D230 PolarHBondContact NE2-O 3.13Å
188	T	95.3	Very high	94.8	Very high	3 Å²	3	46 Å²	46	2%	0.018	23%	0.23	C	C	.	.			trans	-101.4	-15.6	-178.4	46.7	0	0	0	0	112.6	M185 H196 I199 V212 V213 C217 I222	M185-T188 HydrophobicContact CB-CG2 4.44Å; T188-H196 WeakPolarHBondContact O-CB 3.41Å; T188-H196 PolarHBondContact O-N 3.33Å; T188-I199 HydrophobicContact CG2-CD1 4.2Å; T188-V212 VanDerWaalsContact CG2-O 3.23Å; T188-V212 WeakPolarHBondContact CG2-O 3.46Å; T188-V212 PolarHBondContact OG1-O 3.45Å; T188-V213 HydrophobicContact CG2-CG1 4.18Å; T188-C217 WeakPolarHBondContact OG1-CB 3.25Å; T188-C217 PolarHBondContact OG1-SG 2.95Å; T188-I222 HydrophobicContact CG2-CD1 3.5Å; T188-I222 VanDerWaalsContact CG2-CD1 3.5Å
189	L	94.5	Very high	94.9	Very high	25 Å²	25	39 Å²	39	13%	0.131	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-99.6	151.3	174.8	-60.6	178	0	0	0	111.7	F193 E194 N216	L189-F193 HydrophobicContact CD1-CD1 4.47Å; L189-E194 CarbonylContact C-O 3.45Å; L189-E194 WeakPolarHBondContact CA-O 3.43Å; L189-N216 WeakPolarHBondContact CD1-ND2 3.49Å
190	T	92.8	Very high	94.9	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.129	21%	0.213	C	C	.	.			trans	-81.4	173.6	168.8	69.6	0	0	0	0	110.6	L192 F193 E194 H196	T190-L192 PolarHBondContact O-N 3.36Å; T190-L192 PolarHBondContact OG1-N 3.49Å; T190-F193 PolarHBondContact O-N 3.43Å; T190-E194 WeakPolarHBondContact CG2-O 3.41Å; T190-E194 PolarHBondContact N-O 2.96Å; T190-E194 PolarHBondContact OG1-N 3.13Å; T190-E194 PolarHBondContact OG1-O 3.06Å; T190-H196 HydrophobicContact CG2-CB 4.35Å
191	S	89	Confident	94.9	Very high	71 Å²	71	39.8 Å²	39.8	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.1	173.7	-47	0	0	0	0	114.3
192	L	91	Very high	94.9	Very high	132 Å²	132	36.9 Å²	36.9	69%	0.691	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	9.4	176.2	-59.2	179.6	0	0	0	112.8	T190 E194	T190-L192 PolarHBondContact O-N 3.36Å; T190-L192 PolarHBondContact OG1-N 3.49Å; L192-E194 HydrophobicContact CB-CG 4.37Å; L192-E194 PolarHBondContact O-N 3.35Å
193	F	91.1	Very high	94.8	Very high	152 Å²	152	39.3 Å²	39.3	67%	0.667	22%	0.216	S	C	*	.	S	Bend	trans	60.7	23.2	-174.5	-54.9	-81.2	0	0	0	114.1	L189 T190	L189-F193 HydrophobicContact CD1-CD1 4.47Å; T190-F193 PolarHBondContact O-N 3.43Å
194	E	92.6	Very high	94.7	Very high	117 Å²	117	46.5 Å²	46.5	55%	0.547	25%	0.247	S	C	.	.	S	Bend	trans	-97	148.4	172.8	-64.5	-178.5	164.3	0	0	110.5	L189 T190 L192 H196	L189-E194 CarbonylContact C-O 3.45Å; L189-E194 WeakPolarHBondContact CA-O 3.43Å; T190-E194 WeakPolarHBondContact CG2-O 3.41Å; T190-E194 PolarHBondContact N-O 2.96Å; T190-E194 PolarHBondContact OG1-N 3.13Å; T190-E194 PolarHBondContact OG1-O 3.06Å; L192-E194 HydrophobicContact CB-CG 4.37Å; L192-E194 PolarHBondContact O-N 3.35Å; E194-H196 PolarHBondContact O-N 3.27Å
195	P	94	Very high	94.6	Very high	80 Å²	80	50.1 Å²	50.1	52%	0.519	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-56.6	133.8	174.2	-23.8	33.8	0	0	0	112	E197	P195-E197 PolarHBondContact O-N 3.01Å
196	H	95.1	Very high	94.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-64.1	127.6	-178.9	-168.3	-72.4	0	0	0	111.4	Q137 W161 M185 T188 T190 E194 A198 I199	Q137-H196 PolarHBondContact OE1-CD2 2.94Å; W161-H196 AromaticContact CD2-CE1 3.71Å; W161-H196 AromaticContact CE3-CE1 3.73Å; W161-H196 AromaticContact CG-CE1 3.68Å; M185-H196 HydrophobicContact CE-CB 3.6Å; T188-H196 WeakPolarHBondContact O-CB 3.41Å; T188-H196 PolarHBondContact O-N 3.33Å; T190-H196 HydrophobicContact CG2-CB 4.35Å; E194-H196 PolarHBondContact O-N 3.27Å; H196-A198 VanDerWaalsContact CE1-CB 3.41Å; H196-A198 WeakPolarHBondContact CE1-CB 3.33Å; H196-A198 WeakPolarHBondContact ND1-CB 3.49Å; H196-A198 PolarHBondContact ND1-N 3.06Å; H196-A198 VanDerWaalsContact ND1-N 3.11Å; H196-A198 PolarHBondContact O-N 3.13Å; H196-A198 VanDerWaalsContact O-N 3.11Å; H196-I199 HydrophobicContact CB-CD1 4.36Å; H196-I199 WeakPolarHBondContact O-CB 3.12Å; H196-I199 WeakPolarHBondContact O-CG1 3.5Å; H196-I199 PolarHBondContact O-N 2.92Å
197	E	95	Very high	94.6	Very high	70 Å²	70	55 Å²	55	33%	0.327	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-30.5	-174.3	-64.2	175	160.3	0	0	113.6	Q163 P195 I199 V200 E201	Q163-E197 VanDerWaalsContact CG-OE1 3.32Å; Q163-E197 WeakPolarHBondContact CG-OE1 3.48Å; Q163-E197 WeakPolarHBondContact CG-OE2 3.4Å; Q163-E197 PolarHBondContact NE2-OE1 3.44Å; P195-E197 PolarHBondContact O-N 3.01Å; E197-I199 PolarHBondContact O-N 2.88Å; E197-I199 VanDerWaalsContact O-N 3.16Å; E197-V200 PolarHBondContact O-N 2.87Å; E197-E201 PolarHBondContact O-N 2.75Å
198	A	95.7	Very high	94.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-54.6	-30.3	173.5	0	0	0	0	0	113.5	W161 H196 A202	W161-A198 HydrophobicContact CD2-CB 3.92Å; W161-A198 HydrophobicContact CE3-CB 4.02Å; W161-A198 HydrophobicContact CH2-CB 3.74Å; W161-A198 HydrophobicContact CZ2-CB 3.61Å; W161-A198 HydrophobicContact CZ3-CB 3.94Å; H196-A198 VanDerWaalsContact CE1-CB 3.41Å; H196-A198 WeakPolarHBondContact CE1-CB 3.33Å; H196-A198 WeakPolarHBondContact ND1-CB 3.49Å; H196-A198 PolarHBondContact ND1-N 3.06Å; H196-A198 VanDerWaalsContact ND1-N 3.11Å; H196-A198 PolarHBondContact O-N 3.13Å; H196-A198 VanDerWaalsContact O-N 3.11Å; A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 3.08Å
199	I	96.1	Very high	94.9	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-45.3	176.7	-60.3	171.3	0	0	0	109.7	M185 T188 H196 E197 A203 L221 I222	M185-I199 HydrophobicContact CE-CD1 4.46Å; M185-I199 HydrophobicContact CE-CG1 4.21Å; M185-I199 HydrophobicContact SD-CD1 4Å; M185-I199 HydrophobicContact SD-CG1 3.43Å; M185-I199 WeakPolarHBondContact SD-CG1 3.49Å; T188-I199 HydrophobicContact CG2-CD1 4.2Å; H196-I199 HydrophobicContact CB-CD1 4.36Å; H196-I199 WeakPolarHBondContact O-CB 3.12Å; H196-I199 WeakPolarHBondContact O-CG1 3.5Å; H196-I199 PolarHBondContact O-N 2.92Å; E197-I199 PolarHBondContact O-N 2.88Å; E197-I199 VanDerWaalsContact O-N 3.16Å; I199-A203 WeakPolarHBondContact O-CB 3.36Å; I199-A203 PolarHBondContact O-N 2.91Å; I199-L221 HydrophobicContact CG2-CB 3.57Å; I199-L221 HydrophobicContact CG2-CD1 4.41Å; I199-I222 HydrophobicContact CD1-CD1 4.43Å; I199-I222 HydrophobicContact CD1-CG1 4.46Å; I199-I222 HydrophobicContact CG2-CG1 4.3Å
200	V	95.8	Very high	95.1	Very high	61 Å²	61	54.4 Å²	54.4	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-42.1	179.5	-179.1	0	0	0	0	110.8	E197 K204 L221	E197-V200 PolarHBondContact O-N 2.87Å; V200-K204 HydrophobicContact CG1-CD 4.5Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 3.49Å; V200-K204 VanDerWaalsContact O-N 3.08Å; V200-L221 HydrophobicContact CG2-CD1 4.2Å
201	E	96.3	Very high	95.3	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-41.8	176.3	-71.1	-172.7	-143.9	0	0	112.2	W161 G164 T165 F166 T167 E197 K204 M205	W161-E201 PolarHBondContact NE1-OE1 3.07Å; G164-E201 PolarHBondContact N-OE1 3.3Å; T165-E201 PolarHBondContact N-OE2 2.89Å; F166-E201 HydrophobicContact CB-CB 4.31Å; F166-E201 HydrophobicContact CD2-CB 3.89Å; F166-E201 PolarHBondContact N-OE2 2.99Å; T167-E201 HydrophobicContact CG2-CG 4.28Å; E197-E201 PolarHBondContact O-N 2.75Å; E201-K204 PolarHBondContact O-N 3.36Å; E201-M205 WeakPolarHBondContact O-CG 3.28Å; E201-M205 PolarHBondContact O-N 3.37Å
202	A	96.7	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-45	176.4	0	0	0	0	0	111.4	I183 A198 K204 M205 A206 I207 V209	I183-A202 HydrophobicContact CD1-CB 3.59Å; A198-A202 WeakPolarHBondContact O-CB 3.37Å; A198-A202 PolarHBondContact O-N 3.08Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 2.95Å; A202-M205 CarbonylContact O-C 3.58Å; A202-M205 PolarHBondContact O-N 2.93Å; A202-M205 VanDerWaalsContact O-N 3.11Å; A202-A206 PolarHBondContact O-N 3.35Å; A202-I207 HydrophobicContact CB-CB 4.17Å; A202-I207 PolarHBondContact O-N 3.42Å; A202-V209 HydrophobicContact CB-CG2 3.54Å
203	A	96.4	Very high	96	Very high	51 Å²	51	43.7 Å²	43.7	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-40.9	175.7	0	0	0	0	0	112.2	I199 M205 A206	I199-A203 WeakPolarHBondContact O-CB 3.36Å; I199-A203 PolarHBondContact O-N 2.91Å; A203-M205 VanDerWaalsContact C-N 3.31Å; A203-M205 PolarHBondContact O-N 3.12Å; A203-A206 PolarHBondContact O-N 3.18Å
204	K	96.5	Very high	96.3	Very high	152 Å²	152	36.5 Å²	36.5	66%	0.661	21%	0.208	S	C	*	.	H	α-helix	trans	-64.1	-34.5	175.1	-73.6	172.7	-180	177.7	0	112.9	T167 V200 E201 A202 A206	T167-K204 HydrophobicContact CG2-CB 4.48Å; T167-K204 HydrophobicContact CG2-CD 4.24Å; V200-K204 HydrophobicContact CG1-CD 4.5Å; V200-K204 WeakPolarHBondContact O-CG 3.42Å; V200-K204 PolarHBondContact O-N 3.49Å; V200-K204 VanDerWaalsContact O-N 3.08Å; E201-K204 PolarHBondContact O-N 3.36Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 2.95Å; K204-A206 VanDerWaalsContact C-N 3.34Å
205	M	95.1	Very high	96.4	Very high	75 Å²	75	30.9 Å²	30.9	37%	0.369	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5.6	-179.9	-63	-59	-66.6	0	0	113.6	F166 E201 A202 A203 I207	F166-M205 HydrophobicContact CB-CG 3.87Å; E201-M205 WeakPolarHBondContact O-CG 3.28Å; E201-M205 PolarHBondContact O-N 3.37Å; A202-M205 CarbonylContact O-C 3.58Å; A202-M205 PolarHBondContact O-N 2.93Å; A202-M205 VanDerWaalsContact O-N 3.11Å; A203-M205 VanDerWaalsContact C-N 3.31Å; A203-M205 PolarHBondContact O-N 3.12Å; M205-I207 HydrophobicContact CB-CD1 3.85Å; M205-I207 HydrophobicContact CB-CG1 3.94Å; M205-I207 PolarHBondContact O-N 3.02Å
206	A	96.2	Very high	96.5	Very high	91 Å²	91	28.5 Å²	28.5	75%	0.752	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.1	-174.9	0	0	0	0	0	114	A202 A203 K204	A202-A206 PolarHBondContact O-N 3.35Å; A203-A206 PolarHBondContact O-N 3.18Å; K204-A206 VanDerWaalsContact C-N 3.34Å
207	I	97.1	Very high	96.5	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.072	16%	0.164	C	C	.	.			trans	-90.2	124.5	175.8	-58.6	170.2	0	0	0	108.4	F166 H179 P180 I183 A202 M205	F166-I207 HydrophobicContact CG-CD1 4.49Å; H179-I207 HydrophobicContact CB-CD1 4.21Å; P180-I207 HydrophobicContact CG-CD1 4.32Å; P180-I207 WeakPolarHBondContact O-CG2 3.34Å; I183-I207 HydrophobicContact CD1-CB 4.42Å; I183-I207 HydrophobicContact CD1-CG2 3.76Å; I183-I207 HydrophobicContact CG1-CG2 3.93Å; A202-I207 HydrophobicContact CB-CB 4.17Å; A202-I207 PolarHBondContact O-N 3.42Å; M205-I207 HydrophobicContact CB-CD1 3.85Å; M205-I207 HydrophobicContact CB-CG1 3.94Å; M205-I207 PolarHBondContact O-N 3.02Å
208	P	98	Very high	96.5	Very high	29 Å²	29	27.2 Å²	27.2	19%	0.188	16%	0.16	C	C	.	.			trans	-67.9	140	178.8	27.8	-34	0	0	0	111.3	F121 D181 L182 I183 T223	F121-P208 HydrophobicContact CE1-CB 3.91Å; F121-P208 HydrophobicContact CE1-CG 3.85Å; F121-P208 HydrophobicContact CZ-CB 3.93Å; F121-P208 HydrophobicContact CZ-CG 3.8Å; D181-P208 VanDerWaalsContact O-CD 3.28Å; D181-P208 WeakPolarHBondContact O-CD 3.22Å; D181-P208 WeakPolarHBondContact O-CG 3.34Å; L182-P208 HydrophobicContact CD1-CB 4.5Å; L182-P208 HydrophobicContact CD1-CG 4.37Å; L182-P208 WeakPolarHBondContact CD1-O 3.29Å; I183-P208 PolarHBondContact N-O 2.63Å; I183-P208 VanDerWaalsContact N-O 3.07Å; P208-T223 WeakPolarHBondContact CA-OG1 3.17Å; P208-T223 HydrophobicContact CB-CG2 4.23Å
209	V	98.2	Very high	96.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.2	178.9	-175	0	0	0	0	109.5	I183 M185 A202 I222 T223 Y224	I183-V209 HydrophobicContact CB-CG2 4.37Å; I183-V209 HydrophobicContact CG2-CG1 4.44Å; I183-V209 WeakPolarHBondContact O-CA 3.4Å; M185-V209 HydrophobicContact CG-CG1 4.03Å; M185-V209 HydrophobicContact SD-CG1 4.08Å; A202-V209 HydrophobicContact CB-CG2 3.54Å; V209-I222 HydrophobicContact CB-CG2 4.49Å; V209-I222 HydrophobicContact CG1-CG2 4.29Å; V209-I222 WeakPolarHBondContact O-CG2 3.22Å; V209-T223 PolarHBondContact N-OG1 3.03Å; V209-T223 WeakPolarHBondContact O-CB 3.4Å; V209-T223 PolarHBondContact O-N 3.19Å; V209-Y224 PolarHBondContact O-N 2.75Å
210	V	98.4	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.8	165.6	172.7	0	0	0	0	106.7	A118 F121 V122 L182 I183 I184 M185 Y224 I226 F243	A118-V210 HydrophobicContact CB-CG1 3.76Å; F121-V210 HydrophobicContact CD1-CG2 4.24Å; V122-V210 HydrophobicContact CG2-CG2 4.23Å; L182-V210 HydrophobicContact CD1-CB 4.28Å; L182-V210 HydrophobicContact CD1-CG2 3.62Å; I183-V210 PolarHBondContact O-N 3.49Å; I184-V210 CarbonylContact C-O 3.59Å; I184-V210 VanDerWaalsContact CA-O 3.31Å; I184-V210 WeakPolarHBondContact CA-O 3.39Å; I184-V210 HydrophobicContact CG1-CB 4.46Å; M185-V210 PolarHBondContact N-O 2.94Å; V210-Y224 HydrophobicContact CG2-CD2 4.08Å; V210-Y224 HydrophobicContact CG2-CG 4.36Å; V210-I226 HydrophobicContact CG1-CD1 3.84Å; V210-F243 HydrophobicContact CG1-CE1 3.95Å; V210-F243 HydrophobicContact CG1-CZ 4.02Å
211	G	97.4	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.8	-173.5	0	0	0	0	0	113.1	M185 Y224 I226	M185-G211 WeakPolarHBondContact O-CA 3.36Å; G211-Y224 PolarHBondContact N-O 3.1Å; G211-Y224 VanDerWaalsContact N-O 3.16Å; G211-I226 PolarHBondContact O-N 3.31Å
212	V	97.5	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.3	166.3	-174.5	0	0	0	0	108.3	M185 T188 I226 D230 Y239	M185-V212 PolarHBondContact O-N 3.05Å; T188-V212 VanDerWaalsContact CG2-O 3.23Å; T188-V212 WeakPolarHBondContact CG2-O 3.46Å; T188-V212 PolarHBondContact OG1-O 3.45Å; V212-I226 WeakPolarHBondContact CA-O 3.44Å; V212-D230 HydrophobicContact CG1-CB 4.03Å; V212-Y239 HydrophobicContact CB-CE2 4.5Å; V212-Y239 HydrophobicContact CG1-CD2 4.4Å; V212-Y239 HydrophobicContact CG1-CE2 3.74Å; V212-Y239 HydrophobicContact CG2-CD1 4.41Å; V212-Y239 HydrophobicContact CG2-CD2 3.83Å; V212-Y239 HydrophobicContact CG2-CE2 3.95Å; V212-Y239 HydrophobicContact CG2-CG 4.08Å
213	V	97.1	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	-178.7	-67.5	0	0	0	0	109.9	M92 T188 C217 P219 I222 P225 I226 P227 G228	M92-V213 HydrophobicContact CE-CB 4.2Å; M92-V213 HydrophobicContact CE-CG2 3.74Å; M92-V213 HydrophobicContact SD-CB 4.38Å; M92-V213 HydrophobicContact SD-CG2 4.15Å; T188-V213 HydrophobicContact CG2-CG1 4.18Å; V213-C217 HydrophobicContact CB-CB 4.22Å; V213-C217 HydrophobicContact CG1-CB 4.47Å; V213-P219 HydrophobicContact CG1-CB 4.5Å; V213-I222 HydrophobicContact CG1-CD1 3.35Å; V213-P225 HydrophobicContact CG1-CB 4.15Å; V213-P225 HydrophobicContact CG2-CB 3.87Å; V213-I226 PolarHBondContact N-O 3.03Å; V213-P227 HydrophobicContact CG2-CB 4.41Å; V213-P227 WeakPolarHBondContact O-CA 3.3Å; V213-G228 PolarHBondContact O-N 2.67Å
214	D	96.2	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.			trans	-84.9	170.5	168.4	-158.2	-22.9	0	0	0	110.2	G82 H83 N216 C217 D230	G82-D214 WeakPolarHBondContact CA-OD1 3.16Å; H83-D214 IonicContact CE1-OD2 3.79Å; H83-D214 PolarHBondContact CE1-OD2 2.94Å; H83-D214 IonicContact CG-OD2 3.01Å; H83-D214 VanDerWaalsContact ND1-CG 3.27Å; H83-D214 IonicContact ND1-OD1 3.06Å; H83-D214 IonicContact ND1-OD2 3.61Å; H83-D214 PolarHBondContact ND1-OD2 3.23Å; D214-N216 PolarHBondContact O-N 2.96Å; D214-C217 VanDerWaalsContact O-CB 3.29Å; D214-C217 WeakPolarHBondContact O-CB 3.5Å; D214-C217 PolarHBondContact O-N 3.36Å; D214-D230 WeakPolarHBondContact CB-OD1 3.41Å
215	S	96.6	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.1	-178.8	51.1	0	0	0	0	114.6	H83 L88 D89	H83-S215 WeakPolarHBondContact CB-OG 3.5Å; H83-S215 PolarHBondContact N-OG 3.44Å; L88-S215 WeakPolarHBondContact CD1-O 3.11Å; D89-S215 PolarHBondContact N-O 2.92Å
216	N	95.4	Very high	96.8	Very high	30 Å²	30	27.9 Å²	27.9	16%	0.16	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.5	175.1	61.2	-12.9	0	0	0	113.3	T87 L189 D214	T87-N216 WeakPolarHBondContact O-CA 3.39Å; T87-N216 VanDerWaalsContact O-CB 3.25Å; T87-N216 WeakPolarHBondContact O-CB 3.4Å; L189-N216 WeakPolarHBondContact CD1-ND2 3.49Å; D214-N216 PolarHBondContact O-N 2.96Å
217	C	95.2	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-95.7	156.3	-177.3	-58.5	0	0	0	0	112.2	M92 T188 V213 D214 P219	M92-C217 WeakPolarHBondContact CG-O 3.41Å; T188-C217 WeakPolarHBondContact OG1-CB 3.25Å; T188-C217 PolarHBondContact OG1-SG 2.95Å; V213-C217 HydrophobicContact CB-CB 4.22Å; V213-C217 HydrophobicContact CG1-CB 4.47Å; D214-C217 VanDerWaalsContact O-CB 3.29Å; D214-C217 WeakPolarHBondContact O-CB 3.5Å; D214-C217 PolarHBondContact O-N 3.36Å; C217-P219 WeakPolarHBondContact O-CD 3.43Å
218	N	94.7	Very high	96.8	Very high	44 Å²	44	22.9 Å²	22.9	24%	0.235	12%	0.123	C	C	.	.			trans	-96.4	111.1	172.1	170.9	25.3	0	0	0	110.6	R91 N220	R91-N218 WeakPolarHBondContact CD-OD1 3.32Å; R91-N218 PolarHBondContact NH1-ND2 2.94Å; R91-N218 PolarHBondContact NH1-OD1 2.68Å; N218-N220 PolarHBondContact O-N 3.04Å; N218-N220 WeakPolarHBondContact OD1-CB 3.42Å; N218-N220 PolarHBondContact OD1-N 3.35Å; N218-N220 VanDerWaalsContact OD1-N 3.16Å
219	P	95.3	Very high	96.8	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.058	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-79	-13.7	-176.5	32.3	-36.1	0	0	0	114	R91 M92 F95 V213 C217 L221 I222 P225	R91-P219 HydrophobicContact CB-CG 4.24Å; M92-P219 HydrophobicContact SD-CB 4.06Å; M92-P219 HydrophobicContact SD-CG 3.68Å; F95-P219 HydrophobicContact CE2-CB 4.43Å; F95-P219 HydrophobicContact CE2-CG 4.19Å; V213-P219 HydrophobicContact CG1-CB 4.5Å; C217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.05Å; P219-L221 VanDerWaalsContact O-N 3.16Å; P219-I222 PolarHBondContact O-N 3.16Å; P219-P225 HydrophobicContact CB-CB 4.02Å; P219-P225 HydrophobicContact CB-CG 4.41Å
220	N	95	Very high	96.7	Very high	108 Å²	108	22 Å²	22	58%	0.578	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-62.4	-29.5	-164.1	-68.8	-7.6	0	0	0	115.8	N218	N218-N220 PolarHBondContact O-N 3.04Å; N218-N220 WeakPolarHBondContact OD1-CB 3.42Å; N218-N220 PolarHBondContact OD1-N 3.35Å; N218-N220 VanDerWaalsContact OD1-N 3.16Å
221	L	95.1	Very high	96.4	Very high	85 Å²	85	26.4 Å²	26.4	45%	0.445	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-93.9	-2.5	-179.5	-68.9	179.6	0	0	0	113.1	I199 V200 P219	I199-L221 HydrophobicContact CG2-CB 3.57Å; I199-L221 HydrophobicContact CG2-CD1 4.41Å; V200-L221 HydrophobicContact CG2-CD1 4.2Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.05Å; P219-L221 VanDerWaalsContact O-N 3.16Å
222	I	97	Very high	96.3	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.051	15%	0.149	C	C	.	.			trans	-94.8	127.7	-178	-61	167.5	0	0	0	107.8	T188 I199 V209 V213 P219 P225	T188-I222 HydrophobicContact CG2-CD1 3.5Å; T188-I222 VanDerWaalsContact CG2-CD1 3.5Å; I199-I222 HydrophobicContact CD1-CD1 4.43Å; I199-I222 HydrophobicContact CD1-CG1 4.46Å; I199-I222 HydrophobicContact CG2-CG1 4.3Å; V209-I222 HydrophobicContact CB-CG2 4.49Å; V209-I222 HydrophobicContact CG1-CG2 4.29Å; V209-I222 WeakPolarHBondContact O-CG2 3.22Å; V213-I222 HydrophobicContact CG1-CD1 3.35Å; P219-I222 PolarHBondContact O-N 3.16Å; I222-P225 HydrophobicContact CB-CB 4.39Å; I222-P225 HydrophobicContact CG2-CB 4.2Å
223	T	97.6	Very high	96.2	Very high	73 Å²	73	31.7 Å²	31.7	45%	0.448	17%	0.174	S	C	.	.	S	Bend	trans	-67.7	-42.5	-176.3	-44.3	0	0	0	0	111.9	P208 V209	P208-T223 WeakPolarHBondContact CA-OG1 3.17Å; P208-T223 HydrophobicContact CB-CG2 4.23Å; V209-T223 PolarHBondContact N-OG1 3.03Å; V209-T223 WeakPolarHBondContact O-CB 3.4Å; V209-T223 PolarHBondContact O-N 3.19Å
224	Y	98.1	Very high	96.2	Very high	70 Å²	70	35.1 Å²	35.1	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	84.6	176	-66.8	-82.9	0	0	0	109.5	Q117 F121 V209 V210 G211	Q117-Y224 HydrophobicContact CB-CD1 4.37Å; F121-Y224 HydrophobicContact CB-CD2 4.39Å; F121-Y224 HydrophobicContact CB-CE2 3.98Å; F121-Y224 HydrophobicContact CD1-CD2 4.02Å; F121-Y224 AromaticContact CD1-CE2 3.73Å; F121-Y224 HydrophobicContact CD1-CE2 3.73Å; F121-Y224 AromaticContact CD2-CE2 3.51Å; F121-Y224 HydrophobicContact CD2-CE2 3.51Å; F121-Y224 AromaticContact CD2-CZ 3.7Å; F121-Y224 WeakPolarHBondContact CD2-OH 3.3Å; F121-Y224 HydrophobicContact CE1-CD2 4.47Å; F121-Y224 HydrophobicContact CE1-CE2 4.06Å; F121-Y224 AromaticContact CE2-CE2 3.86Å; F121-Y224 HydrophobicContact CE2-CE2 3.86Å; F121-Y224 HydrophobicContact CG-CD2 4.05Å; F121-Y224 AromaticContact CG-CE2 3.44Å; F121-Y224 HydrophobicContact CG-CE2 3.44Å; F121-Y224 VanDerWaalsContact CG-CE2 3.44Å; F121-Y224 AromaticContact CG-CZ 3.87Å; F121-Y224 HydrophobicContact CZ-CE2 4.12Å; V209-Y224 PolarHBondContact O-N 2.75Å; V210-Y224 HydrophobicContact CG2-CD2 4.08Å; V210-Y224 HydrophobicContact CG2-CG 4.36Å; G211-Y224 PolarHBondContact N-O 3.1Å; G211-Y224 VanDerWaalsContact N-O 3.16Å
225	P	97.7	Very high	96.2	Very high	21 Å²	21	35.1 Å²	35.1	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.5	176.6	29.8	-32.1	0	0	0	110.1	H114 V213 P219 I222 P227	H114-P225 WeakPolarHBondContact CB-O 3.22Å; V213-P225 HydrophobicContact CG1-CB 4.15Å; V213-P225 HydrophobicContact CG2-CB 3.87Å; P219-P225 HydrophobicContact CB-CB 4.02Å; P219-P225 HydrophobicContact CB-CG 4.41Å; I222-P225 HydrophobicContact CB-CB 4.39Å; I222-P225 HydrophobicContact CG2-CB 4.2Å; P225-P227 WeakPolarHBondContact O-CD 3.09Å
226	I	98.1	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	101.9	176.4	-58.1	163.8	0	0	0	107.3	T111 L115 A118 V210 G211 V212 V213 G228 Y239 F243	T111-I226 HydrophobicContact CG2-CG2 4.45Å; L115-I226 HydrophobicContact CB-CG2 4.11Å; L115-I226 HydrophobicContact CD1-CD1 3.88Å; L115-I226 HydrophobicContact CD1-CG1 4.49Å; L115-I226 HydrophobicContact CD1-CG2 4.13Å; A118-I226 HydrophobicContact CB-CD1 3.7Å; A118-I226 HydrophobicContact CB-CG1 3.89Å; V210-I226 HydrophobicContact CG1-CD1 3.84Å; G211-I226 PolarHBondContact O-N 3.31Å; V212-I226 WeakPolarHBondContact CA-O 3.44Å; V213-I226 PolarHBondContact N-O 3.03Å; I226-G228 PolarHBondContact O-N 2.68Å; I226-Y239 HydrophobicContact CG2-CE1 4.27Å; I226-F243 HydrophobicContact CD1-CE1 4.35Å; I226-F243 HydrophobicContact CD1-CZ 3.8Å
227	P	97.9	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.1	-179.3	27.3	-32	0	0	0	110.7	M92 F95 F106 T111 V213 P225	M92-P227 HydrophobicContact CE-CB 4.28Å; F95-P227 HydrophobicContact CB-CB 3.66Å; F95-P227 HydrophobicContact CB-CG 4.11Å; F95-P227 HydrophobicContact CD1-CB 4.19Å; F95-P227 HydrophobicContact CD1-CG 3.86Å; F95-P227 HydrophobicContact CG-CB 3.9Å; F95-P227 HydrophobicContact CG-CG 4.11Å; F106-P227 HydrophobicContact CD1-CB 3.87Å; F106-P227 HydrophobicContact CE1-CB 3.94Å; T111-P227 WeakPolarHBondContact CB-O 3.06Å; T111-P227 WeakPolarHBondContact CG2-O 3.33Å; T111-P227 PolarHBondContact OG1-O 2.61Å; V213-P227 HydrophobicContact CG2-CB 4.41Å; V213-P227 WeakPolarHBondContact O-CA 3.3Å; P225-P227 WeakPolarHBondContact O-CD 3.09Å
228	G	97.3	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	168.3	175.9	179.4	0	0	0	0	0	113.9	V213 I226 D230	V213-G228 PolarHBondContact O-N 2.67Å; I226-G228 PolarHBondContact O-N 2.68Å; G228-D230 PolarHBondContact O-N 3.44Å
229	N	97.1	Very high	96.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.2	C	C	.	.			trans	-67.2	114.1	-179	-174.9	-6.7	0	0	0	113.1	R78 V79 F81 D231 T232 S235 Y239	R78-N229 WeakPolarHBondContact O-CB 3.43Å; R78-N229 PolarHBondContact O-ND2 3.05Å; V79-N229 PolarHBondContact O-N 3.1Å; F81-N229 VanDerWaalsContact O-CB 3.25Å; F81-N229 WeakPolarHBondContact O-CB 3.43Å; N229-D231 PolarHBondContact OD1-N 3.1Å; N229-T232 WeakPolarHBondContact ND2-CG2 3.4Å; N229-T232 PolarHBondContact ND2-OG1 3.05Å; N229-T232 PolarHBondContact OD1-N 2.87Å; N229-S235 VanDerWaalsContact O-CB 3.29Å; N229-S235 WeakPolarHBondContact O-CB 3.45Å; N229-S235 PolarHBondContact O-OG 3.38Å; N229-Y239 WeakPolarHBondContact O-CE2 3.14Å
230	D	95.4	Very high	96.7	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	20%	0.199	C	C	.	.			trans	-98.1	-2	172.2	71.6	-14.2	0	0	0	114.3	T186 H187 V212 D214 G228 I236	T186-D230 WeakPolarHBondContact O-CB 3.36Å; H187-D230 PolarHBondContact CD2-O 2.83Å; H187-D230 IonicContact CD2-OD2 3.97Å; H187-D230 PolarHBondContact NE2-O 3.13Å; V212-D230 HydrophobicContact CG1-CB 4.03Å; D214-D230 WeakPolarHBondContact CB-OD1 3.41Å; G228-D230 PolarHBondContact O-N 3.44Å; D230-I236 WeakPolarHBondContact O-CD1 3.44Å
231	D	93.7	Very high	96.8	Very high	93 Å²	93	34.2 Å²	34.2	50%	0.497	19%	0.191	S	C	.	.	S	Bend	trans	-84.6	-38.9	-177.2	-73.6	-43.1	0	0	0	114	H83 N229	H83-D231 IonicContact CE1-OD1 2.63Å; H83-D231 IonicContact CE1-OD2 3.91Å; H83-D231 PolarHBondContact CE1-OD2 2.82Å; H83-D231 IonicContact ND1-OD2 3.99Å; H83-D231 IonicContact NE2-OD2 3.7Å; N229-D231 PolarHBondContact OD1-N 3.1Å
232	T	94.6	Very high	96.9	Very high	32 Å²	32	30.8 Å²	30.8	20%	0.196	17%	0.173	C	C	.	.			trans	-84.1	135.9	-167.9	70.3	0	0	0	0	112.2	N229 V234 S235 I236	N229-T232 WeakPolarHBondContact ND2-CG2 3.4Å; N229-T232 PolarHBondContact ND2-OG1 3.05Å; N229-T232 PolarHBondContact OD1-N 2.87Å; T232-V234 PolarHBondContact O-N 3.47Å; T232-V234 VanDerWaalsContact O-N 3.08Å; T232-S235 PolarHBondContact O-N 2.76Å; T232-S235 VanDerWaalsContact O-N 3.13Å; T232-S235 PolarHBondContact O-OG 3.32Å; T232-S235 WeakPolarHBondContact OG1-CB 3.47Å; T232-S235 PolarHBondContact OG1-N 3.43Å; T232-S235 PolarHBondContact OG1-OG 2.98Å; T232-I236 WeakPolarHBondContact O-CD1 3.15Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.4Å; T232-I236 PolarHBondContact O-N 3.4Å
233	P	94.8	Very high	97	Very high	80 Å²	80	30.3 Å²	30.3	52%	0.519	17%	0.171	S	C	.	.	H	α-helix	trans	-61.4	-25.3	177.2	24.3	-34.2	0	0	0	112.7	M144 S237	M144-P233 HydrophobicContact CE-CB 3.99Å; P233-S237 WeakPolarHBondContact O-CB 3.14Å; P233-S237 PolarHBondContact O-N 3.21Å
234	V	96.5	Very high	97	Very high	72 Å²	72	29 Å²	29	44%	0.436	16%	0.159	S	C	.	.	H	α-helix	trans	-67.1	-49.6	176	-176.8	0	0	0	0	111	T232 F238	T232-V234 PolarHBondContact O-N 3.47Å; T232-V234 VanDerWaalsContact O-N 3.08Å; V234-F238 WeakPolarHBondContact O-CB 3.42Å; V234-F238 PolarHBondContact O-N 3.19Å
235	S	96.9	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-42.6	177.5	58.6	0	0	0	0	111.1	A77 N229 T232 S237 F238 Y239	A77-S235 WeakPolarHBondContact O-CA 3.25Å; A77-S235 PolarHBondContact O-N 3.12Å; N229-S235 VanDerWaalsContact O-CB 3.29Å; N229-S235 WeakPolarHBondContact O-CB 3.45Å; N229-S235 PolarHBondContact O-OG 3.38Å; T232-S235 PolarHBondContact O-N 2.76Å; T232-S235 VanDerWaalsContact O-N 3.13Å; T232-S235 PolarHBondContact O-OG 3.32Å; T232-S235 WeakPolarHBondContact OG1-CB 3.47Å; T232-S235 PolarHBondContact OG1-N 3.43Å; T232-S235 PolarHBondContact OG1-OG 2.98Å; S235-S237 PolarHBondContact O-N 3.15Å; S235-F238 WeakPolarHBondContact O-CB 3.34Å; S235-F238 PolarHBondContact O-N 3.48Å; S235-F238 VanDerWaalsContact O-N 3.12Å; S235-Y239 WeakPolarHBondContact O-CD2 3Å; S235-Y239 PolarHBondContact O-N 2.91Å
236	I	97.1	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-44	-179.2	-60.1	152.6	0	0	0	111.1	T141 T186 D230 T232 F238 Y239 L240	T141-I236 HydrophobicContact CG2-CB 4.24Å; T141-I236 HydrophobicContact CG2-CD1 3.2Å; T141-I236 HydrophobicContact CG2-CG1 4.24Å; T141-I236 HydrophobicContact CG2-CG2 3.96Å; T186-I236 HydrophobicContact CG2-CG2 4.44Å; D230-I236 WeakPolarHBondContact O-CD1 3.44Å; T232-I236 WeakPolarHBondContact O-CD1 3.15Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.4Å; T232-I236 PolarHBondContact O-N 3.4Å; I236-F238 VanDerWaalsContact C-N 3.26Å; I236-F238 PolarHBondContact O-N 2.94Å; I236-Y239 PolarHBondContact O-N 3.23Å; I236-L240 HydrophobicContact CG2-CD1 4.07Å; I236-L240 HydrophobicContact CG2-CG 4.42Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 VanDerWaalsContact O-CG 3.26Å; I236-L240 WeakPolarHBondContact O-CG 3.46Å; I236-L240 PolarHBondContact O-N 3.32Å
237	S	97	Very high	96.9	Very high	48 Å²	48	27.7 Å²	27.7	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-60.9	-37.1	173.7	-177.6	0	0	0	0	111.8	P233 S235 N241	P233-S237 WeakPolarHBondContact O-CB 3.14Å; P233-S237 PolarHBondContact O-N 3.21Å; S235-S237 PolarHBondContact O-N 3.15Å; S237-N241 WeakPolarHBondContact O-CB 3.42Å; S237-N241 PolarHBondContact O-N 3.17Å; S237-N241 PolarHBondContact O-ND2 2.78Å
238	F	97.6	Very high	96.9	Very high	37 Å²	37	33.5 Å²	33.5	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-50.7	176.7	176.5	-94	0	0	0	111.3	F69 D73 L74 A77 L115 V234 S235 I236 L240 N241 L242	F69-F238 HydrophobicContact CB-CZ 3.92Å; F69-F238 HydrophobicContact CG-CZ 4.44Å; D73-F238 HydrophobicContact CB-CE2 4.04Å; D73-F238 HydrophobicContact CB-CZ 4.33Å; L74-F238 HydrophobicContact CD2-CD1 4.41Å; L74-F238 HydrophobicContact CD2-CE1 3.46Å; L74-F238 VanDerWaalsContact CD2-CE1 3.46Å; L74-F238 HydrophobicContact CD2-CZ 3.93Å; A77-F238 HydrophobicContact CB-CB 3.9Å; A77-F238 HydrophobicContact CB-CD1 4.2Å; A77-F238 HydrophobicContact CB-CD2 3.95Å; A77-F238 HydrophobicContact CB-CG 3.75Å; L115-F238 HydrophobicContact CD2-CE1 4.42Å; V234-F238 WeakPolarHBondContact O-CB 3.42Å; V234-F238 PolarHBondContact O-N 3.19Å; S235-F238 WeakPolarHBondContact O-CB 3.34Å; S235-F238 PolarHBondContact O-N 3.48Å; S235-F238 VanDerWaalsContact O-N 3.12Å; I236-F238 VanDerWaalsContact C-N 3.26Å; I236-F238 PolarHBondContact O-N 2.94Å; F238-L240 PolarHBondContact O-N 3.4Å; F238-N241 PolarHBondContact O-N 3.22Å; F238-L242 HydrophobicContact CD1-CD1 4.01Å; F238-L242 HydrophobicContact CE1-CD1 3.34Å; F238-L242 HydrophobicContact CE1-CG 4.27Å; F238-L242 HydrophobicContact CE2-CD1 4.42Å; F238-L242 HydrophobicContact CZ-CD1 3.61Å; F238-L242 HydrophobicContact CZ-CG 4.32Å; F238-L242 PolarHBondContact O-N 3.14Å; F238-L242 VanDerWaalsContact O-N 3.1Å
239	Y	97.7	Very high	96.9	Very high	2 Å²	2	37 Å²	37	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-46.7	176.1	-63.9	-53.1	0	0	0	112.4	V79 L115 V212 I226 N229 S235 I236 N241 L242 F243	V79-Y239 WeakPolarHBondContact CG1-OH 3.41Å; V79-Y239 HydrophobicContact CG2-CE1 4.4Å; L115-Y239 HydrophobicContact CD1-CD1 4.41Å; V212-Y239 HydrophobicContact CB-CE2 4.5Å; V212-Y239 HydrophobicContact CG1-CD2 4.4Å; V212-Y239 HydrophobicContact CG1-CE2 3.74Å; V212-Y239 HydrophobicContact CG2-CD1 4.41Å; V212-Y239 HydrophobicContact CG2-CD2 3.83Å; V212-Y239 HydrophobicContact CG2-CE2 3.95Å; V212-Y239 HydrophobicContact CG2-CG 4.08Å; I226-Y239 HydrophobicContact CG2-CE1 4.27Å; N229-Y239 WeakPolarHBondContact O-CE2 3.14Å; S235-Y239 WeakPolarHBondContact O-CD2 3Å; S235-Y239 PolarHBondContact O-N 2.91Å; I236-Y239 PolarHBondContact O-N 3.23Å; Y239-N241 VanDerWaalsContact C-N 3.29Å; Y239-N241 PolarHBondContact O-N 3.27Å; Y239-L242 PolarHBondContact O-N 2.61Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; Y239-F243 WeakPolarHBondContact O-CD2 3.29Å; Y239-F243 PolarHBondContact O-N 2.87Å
240	L	97.7	Very high	96.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-38.3	178.6	-69.9	175.4	0	0	0	111.9	F134 M144 V145 A148 T186 I236 F238 K244	F134-L240 HydrophobicContact CD1-CD2 4.42Å; F134-L240 HydrophobicContact CE1-CD2 4.36Å; M144-L240 HydrophobicContact CB-CD1 3.89Å; V145-L240 HydrophobicContact CG2-CD1 4.04Å; V145-L240 HydrophobicContact CG2-CD2 4.22Å; A148-L240 HydrophobicContact CB-CB 4.2Å; A148-L240 HydrophobicContact CB-CD1 4.27Å; A148-L240 HydrophobicContact CB-CD2 4.05Å; A148-L240 HydrophobicContact CB-CG 4.42Å; T186-L240 HydrophobicContact CG2-CD2 3.95Å; T186-L240 HydrophobicContact CG2-CG 4.46Å; I236-L240 HydrophobicContact CG2-CD1 4.07Å; I236-L240 HydrophobicContact CG2-CG 4.42Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 VanDerWaalsContact O-CG 3.26Å; I236-L240 WeakPolarHBondContact O-CG 3.46Å; I236-L240 PolarHBondContact O-N 3.32Å; F238-L240 PolarHBondContact O-N 3.4Å; L240-K244 WeakPolarHBondContact O-CB 3.48Å; L240-K244 WeakPolarHBondContact O-CE 3.43Å; L240-K244 WeakPolarHBondContact O-CG 3.42Å; L240-K244 PolarHBondContact O-N 3.25Å
241	N	97.6	Very high	96.8	Very high	79 Å²	79	39.1 Å²	39.1	42%	0.422	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-42.3	175.6	-74.6	-25.2	0	0	0	112.2	S237 F238 Y239 K244 L245	S237-N241 WeakPolarHBondContact O-CB 3.42Å; S237-N241 PolarHBondContact O-N 3.17Å; S237-N241 PolarHBondContact O-ND2 2.78Å; F238-N241 PolarHBondContact O-N 3.22Å; Y239-N241 VanDerWaalsContact C-N 3.29Å; Y239-N241 PolarHBondContact O-N 3.27Å; N241-K244 PolarHBondContact O-N 3.47Å; N241-K244 WeakPolarHBondContact OD1-CE 3.29Å; N241-K244 PolarHBondContact OD1-NZ 2.87Å; N241-L245 WeakPolarHBondContact O-CB 3.17Å; N241-L245 PolarHBondContact O-N 2.96Å
242	L	97.8	Very high	96.9	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-44.4	176.4	-67.4	179.3	0	0	0	112.3	F69 L115 L119 F238 Y239 K244 L245 A246	F69-L242 HydrophobicContact CB-CD1 4.45Å; F69-L242 HydrophobicContact CB-CD2 4.29Å; F69-L242 HydrophobicContact CD1-CD1 3.91Å; F69-L242 HydrophobicContact CD1-CD2 3.98Å; F69-L242 HydrophobicContact CE1-CD1 4.43Å; F69-L242 HydrophobicContact CG-CD1 4.14Å; F69-L242 HydrophobicContact CG-CD2 4.47Å; L115-L242 HydrophobicContact CD2-CD1 3.76Å; L115-L242 HydrophobicContact CG-CD1 4.42Å; L119-L242 HydrophobicContact CD1-CB 4.14Å; L119-L242 HydrophobicContact CD1-CD1 4.31Å; L119-L242 HydrophobicContact CD2-CB 3.92Å; F238-L242 HydrophobicContact CD1-CD1 4.01Å; F238-L242 HydrophobicContact CE1-CD1 3.34Å; F238-L242 HydrophobicContact CE1-CG 4.27Å; F238-L242 HydrophobicContact CE2-CD1 4.42Å; F238-L242 HydrophobicContact CZ-CD1 3.61Å; F238-L242 HydrophobicContact CZ-CG 4.32Å; F238-L242 PolarHBondContact O-N 3.14Å; F238-L242 VanDerWaalsContact O-N 3.1Å; Y239-L242 PolarHBondContact O-N 2.61Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; L242-K244 PolarHBondContact O-N 2.92Å; L242-L245 WeakPolarHBondContact O-CB 3.4Å; L242-L245 PolarHBondContact O-N 3.33Å; L242-A246 WeakPolarHBondContact O-CB 3.23Å; L242-A246 PolarHBondContact O-N 3.13Å
243	F	98	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-44.1	175.5	-69.6	-52.6	0	0	0	112	L119 V122 F134 I184 V210 I226 Y239 L245 A246 I247	L119-F243 HydrophobicContact CD2-CD1 3.74Å; L119-F243 HydrophobicContact CD2-CE1 4.08Å; V122-F243 HydrophobicContact CG2-CD1 4.14Å; V122-F243 HydrophobicContact CG2-CE1 4.21Å; F134-F243 HydrophobicContact CE1-CB 4.16Å; F134-F243 HydrophobicContact CZ-CB 4.3Å; I184-F243 HydrophobicContact CD1-CD1 4.16Å; I184-F243 HydrophobicContact CD1-CG 4.4Å; I184-F243 HydrophobicContact CG2-CD1 4.37Å; I184-F243 HydrophobicContact CG2-CD2 3.93Å; I184-F243 HydrophobicContact CG2-CE1 4.17Å; I184-F243 HydrophobicContact CG2-CE2 3.69Å; I184-F243 HydrophobicContact CG2-CG 4.27Å; I184-F243 HydrophobicContact CG2-CZ 3.83Å; V210-F243 HydrophobicContact CG1-CE1 3.95Å; V210-F243 HydrophobicContact CG1-CZ 4.02Å; I226-F243 HydrophobicContact CD1-CE1 4.35Å; I226-F243 HydrophobicContact CD1-CZ 3.8Å; Y239-F243 WeakPolarHBondContact O-CD2 3.29Å; Y239-F243 PolarHBondContact O-N 2.87Å; F243-L245 VanDerWaalsContact C-N 3.3Å; F243-L245 PolarHBondContact O-N 3.33Å; F243-A246 PolarHBondContact O-N 3.29Å; F243-I247 VanDerWaalsContact O-CG1 3.26Å; F243-I247 WeakPolarHBondContact O-CG1 3.25Å; F243-I247 PolarHBondContact O-N 2.91Å
244	K	97.9	Very high	96.8	Very high	47 Å²	47	38.9 Å²	38.9	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-43.8	174.8	-72.9	-178.1	-63.2	-172.3	0	111.5	A148 S151 V152 L240 N241 L242 R248	A148-K244 HydrophobicContact CB-CD 3.91Å; A148-K244 HydrophobicContact CB-CG 4.17Å; S151-K244 WeakPolarHBondContact OG-CD 3.39Å; V152-K244 HydrophobicContact CG2-CB 3.83Å; V152-K244 HydrophobicContact CG2-CD 4.34Å; V152-K244 HydrophobicContact CG2-CG 3.57Å; L240-K244 WeakPolarHBondContact O-CB 3.48Å; L240-K244 WeakPolarHBondContact O-CE 3.43Å; L240-K244 WeakPolarHBondContact O-CG 3.42Å; L240-K244 PolarHBondContact O-N 3.25Å; N241-K244 PolarHBondContact O-N 3.47Å; N241-K244 WeakPolarHBondContact OD1-CE 3.29Å; N241-K244 PolarHBondContact OD1-NZ 2.87Å; L242-K244 PolarHBondContact O-N 2.92Å; K244-R248 WeakPolarHBondContact O-CB 3.36Å; K244-R248 VanDerWaalsContact O-CG 3.24Å; K244-R248 WeakPolarHBondContact O-CG 3.37Å; K244-R248 PolarHBondContact O-N 3.45Å
245	L	97.6	Very high	96.7	Very high	63 Å²	63	43.2 Å²	43.2	33%	0.33	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-47	178.9	-178.7	63.3	0	0	0	111.5	T68 N241 L242 F243 R248 R249	T68-L245 HydrophobicContact CG2-CD2 3.52Å; N241-L245 WeakPolarHBondContact O-CB 3.17Å; N241-L245 PolarHBondContact O-N 2.96Å; L242-L245 WeakPolarHBondContact O-CB 3.4Å; L242-L245 PolarHBondContact O-N 3.33Å; F243-L245 VanDerWaalsContact C-N 3.3Å; F243-L245 PolarHBondContact O-N 3.33Å; L245-R248 PolarHBondContact O-N 3.06Å; L245-R249 HydrophobicContact CD1-CG 4.36Å; L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 WeakPolarHBondContact O-CG 3.29Å; L245-R249 PolarHBondContact O-N 3.37Å
246	A	97.7	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-46.9	179	0	0	0	0	0	112.1	L65 L119 V122 A123 L242 F243 R249 G250	L65-A246 HydrophobicContact CD2-CB 4.12Å; L119-A246 HydrophobicContact CB-CB 4.37Å; L119-A246 HydrophobicContact CD2-CB 3.92Å; V122-A246 HydrophobicContact CG1-CB 4.38Å; A123-A246 HydrophobicContact CB-CB 4.39Å; L242-A246 WeakPolarHBondContact O-CB 3.23Å; L242-A246 PolarHBondContact O-N 3.13Å; F243-A246 PolarHBondContact O-N 3.29Å; A246-R249 PolarHBondContact O-N 3.46Å; A246-G250 PolarHBondContact O-N 3.29Å
247	I	98	Very high	96.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-42.2	179	-60.5	164.3	0	0	0	110.8	V122 A126 I132 F134 V152 E154 F243 G250 K251	V122-I247 HydrophobicContact CG1-CD1 4.13Å; V122-I247 HydrophobicContact CG1-CG1 3.46Å; V122-I247 VanDerWaalsContact CG1-CG1 3.46Å; A126-I247 HydrophobicContact CB-CB 4.35Å; A126-I247 HydrophobicContact CB-CG2 3.85Å; I132-I247 HydrophobicContact CD1-CD1 3.93Å; I132-I247 HydrophobicContact CD1-CG1 3.81Å; I132-I247 HydrophobicContact CD1-CG2 4.37Å; F134-I247 HydrophobicContact CE2-CD1 3.97Å; F134-I247 HydrophobicContact CZ-CD1 3.7Å; V152-I247 HydrophobicContact CG1-CB 3.67Å; V152-I247 HydrophobicContact CG1-CD1 4.26Å; V152-I247 HydrophobicContact CG1-CG2 3.18Å; E154-I247 HydrophobicContact CG-CD1 4.26Å; E154-I247 HydrophobicContact CG-CG2 4.27Å; F243-I247 VanDerWaalsContact O-CG1 3.26Å; F243-I247 WeakPolarHBondContact O-CG1 3.25Å; F243-I247 PolarHBondContact O-N 2.91Å; I247-G250 PolarHBondContact O-N 2.84Å; I247-K251 HydrophobicContact CG2-CD 4.16Å; I247-K251 HydrophobicContact CG2-CG 4.38Å; I247-K251 WeakPolarHBondContact O-CG 3.3Å; I247-K251 PolarHBondContact O-N 3.2Å
248	R	97.2	Very high	95.6	Very high	121 Å²	121	56.5 Å²	56.5	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-47.4	176.5	-78.5	177.7	176.1	-176.9	-1.8	111.6	S151 K244 L245 G250 K251 E252	S151-R248 PolarHBondContact O-NH2 3.12Å; K244-R248 WeakPolarHBondContact O-CB 3.36Å; K244-R248 VanDerWaalsContact O-CG 3.24Å; K244-R248 WeakPolarHBondContact O-CG 3.37Å; K244-R248 PolarHBondContact O-N 3.45Å; L245-R248 PolarHBondContact O-N 3.06Å; R248-G250 VanDerWaalsContact C-N 3.35Å; R248-G250 PolarHBondContact O-N 2.81Å; R248-K251 PolarHBondContact O-N 3.11Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 VanDerWaalsContact O-CG 3.28Å; R248-E252 WeakPolarHBondContact O-CG 3.44Å; R248-E252 PolarHBondContact O-N 3.25Å
249	R	96.5	Very high	94.6	Very high	73 Å²	73	56.2 Å²	56.2	28%	0.275	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.6	-73.9	-179.1	176.4	-169.4	2.4	112.1	F63 N64 T68 L245 A246 E252 K253	F63-R249 PolarHBondContact O-NH1 3.03Å; F63-R249 VanDerWaalsContact O-NH1 3.1Å; N64-R249 VanDerWaalsContact C-NH1 3.31Å; N64-R249 PolarHBondContact O-NH1 3.17Å; T68-R249 VanDerWaalsContact CG2-CZ 3.5Å; T68-R249 VanDerWaalsContact CG2-NH1 3.25Å; L245-R249 HydrophobicContact CD1-CG 4.36Å; L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 WeakPolarHBondContact O-CG 3.29Å; L245-R249 PolarHBondContact O-N 3.37Å; A246-R249 PolarHBondContact O-N 3.46Å; R249-E252 PolarHBondContact O-N 3.46Å; R249-K253 VanDerWaalsContact O-CB 3.24Å; R249-K253 WeakPolarHBondContact O-CB 3.49Å; R249-K253 PolarHBondContact O-N 2.97Å
250	G	96.1	Very high	92.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-48	174.4	0	0	0	0	0	112.6	A246 I247 R248 K253 R254	A246-G250 PolarHBondContact O-N 3.29Å; I247-G250 PolarHBondContact O-N 2.84Å; R248-G250 VanDerWaalsContact C-N 3.35Å; R248-G250 PolarHBondContact O-N 2.81Å; G250-K253 PolarHBondContact O-N 3.16Å; G250-R254 PolarHBondContact O-N 3.39Å
251	K	95.8	Very high	92.6	Very high	56 Å²	56	66.2 Å²	66.2	24%	0.243	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-40.6	177.5	-70.4	-176.3	-179.2	-173.3	0	112.9	V152 E154 I247 R248 R254 K255	V152-K251 PolarHBondContact O-NZ 3.45Å; E154-K251 WeakPolarHBondContact OE1-CE 3.15Å; E154-K251 IonicContact OE1-NZ 2.62Å; E154-K251 PolarHBondContact OE1-NZ 2.91Å; I247-K251 HydrophobicContact CG2-CD 4.16Å; I247-K251 HydrophobicContact CG2-CG 4.38Å; I247-K251 WeakPolarHBondContact O-CG 3.3Å; I247-K251 PolarHBondContact O-N 3.2Å; R248-K251 PolarHBondContact O-N 3.11Å; K251-R254 PolarHBondContact O-N 3.27Å; K251-K255 WeakPolarHBondContact O-CG 3.18Å; K251-K255 PolarHBondContact O-N 2.86Å; K251-K255 VanDerWaalsContact O-N 3.09Å
252	E	95.3	Very high	92.4	Very high	105 Å²	105	65.5 Å²	65.5	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-42	176.7	-76.3	171.8	-166.8	0	0	111.6	R248 R249 K255 K256	R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 VanDerWaalsContact O-CG 3.28Å; R248-E252 WeakPolarHBondContact O-CG 3.44Å; R248-E252 PolarHBondContact O-N 3.25Å; R249-E252 PolarHBondContact O-N 3.46Å; E252-K255 PolarHBondContact O-N 2.89Å; E252-K256 WeakPolarHBondContact O-CG 3.37Å; E252-K256 PolarHBondContact O-N 3.44Å
253	K	94	Very high	92.1	Very high	65 Å²	65	68.4 Å²	68.4	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175.9	-172.4	62.9	174.9	177.8	0	111	Y62 F63 Y127 R249 G250 K255 K256 D257	Y62-K253 HydrophobicContact CD1-CG 4.48Å; Y62-K253 HydrophobicContact CE1-CD 4.19Å; Y62-K253 HydrophobicContact CE1-CG 3.71Å; Y62-K253 WeakPolarHBondContact OH-CE 3.15Å; F63-K253 HydrophobicContact CD1-CB 4.25Å; F63-K253 HydrophobicContact CD1-CG 4.35Å; F63-K253 HydrophobicContact CE1-CB 4.09Å; F63-K253 HydrophobicContact CE1-CG 4.1Å; Y127-K253 HydrophobicContact CD2-CB 4.18Å; Y127-K253 HydrophobicContact CD2-CG 4.14Å; Y127-K253 HydrophobicContact CE2-CB 4.33Å; Y127-K253 HydrophobicContact CE2-CG 3.9Å; R249-K253 VanDerWaalsContact O-CB 3.24Å; R249-K253 WeakPolarHBondContact O-CB 3.49Å; R249-K253 PolarHBondContact O-N 2.97Å; G250-K253 PolarHBondContact O-N 3.16Å; K253-K255 VanDerWaalsContact C-N 3.32Å; K253-K255 PolarHBondContact O-N 2.91Å; K253-K256 WeakPolarHBondContact O-CB 3.15Å; K253-K256 PolarHBondContact O-N 2.87Å; K253-K256 VanDerWaalsContact O-N 3.13Å; K253-D257 VanDerWaalsContact O-CG 3.29Å; K253-D257 PolarHBondContact O-N 3.16Å
254	R	93.7	Very high	91.7	Very high	30 Å²	30	72.5 Å²	72.5	11%	0.113	35%	0.348	C	S	.	.	H	α-helix	trans	-55.6	-45.1	173.6	-172.1	-170.5	174.9	93.6	-3.1	112.2	Y127 R128 N129 G250 K251 D257 N258 L259 S260	Y127-R254 HydrophobicContact CD2-CB 3.84Å; Y127-R254 HydrophobicContact CE2-CB 4.19Å; Y127-R254 VanDerWaalsContact O-CD 3.3Å; Y127-R254 WeakPolarHBondContact O-CD 3.38Å; Y127-R254 WeakPolarHBondContact O-CG 3.28Å; Y127-R254 PolarHBondContact O-NH1 3.42Å; R128-R254 VanDerWaalsContact C-NH1 3.34Å; N129-R254 VanDerWaalsContact CB-CZ 3.47Å; G250-R254 PolarHBondContact O-N 3.39Å; K251-R254 PolarHBondContact O-N 3.27Å; R254-D257 PolarHBondContact O-N 3.49Å; R254-N258 PolarHBondContact O-N 3.47Å; R254-L259 HydrophobicContact CG-CB 3.78Å; R254-L259 WeakPolarHBondContact CG-O 3.45Å; R254-L259 PolarHBondContact NE-O 3.02Å; R254-L259 PolarHBondContact O-N 3.44Å; R254-S260 PolarHBondContact NE-OXT 3.3Å; R254-S260 PolarHBondContact NH2-O 3.37Å; R254-S260 PolarHBondContact NH2-OXT 2.82Å
255	K	93.1	Very high	91.3	Very high	163 Å²	163	74.1 Å²	74.1	71%	0.709	36%	0.357	S	S	*	.	H	α-helix	trans	-63	-41.2	176.5	-71.7	176.2	-178.4	-177.5	0	112.6	K251 E252 K253 D257 N258	K251-K255 WeakPolarHBondContact O-CG 3.18Å; K251-K255 PolarHBondContact O-N 2.86Å; K251-K255 VanDerWaalsContact O-N 3.09Å; E252-K255 PolarHBondContact O-N 2.89Å; K253-K255 VanDerWaalsContact C-N 3.32Å; K253-K255 PolarHBondContact O-N 2.91Å; K255-D257 VanDerWaalsContact C-N 3.27Å; K255-D257 PolarHBondContact O-N 3.01Å; K255-N258 PolarHBondContact O-N 3.32Å
256	K	92.8	Very high	90.9	Very high	150 Å²	150	74.8 Å²	74.8	65%	0.652	36%	0.359	S	S	*	.	H	α-helix	trans	-63.5	-36	176.8	-72.2	174.5	-177.3	177.3	0	111.9	E252 K253 N258	E252-K256 WeakPolarHBondContact O-CG 3.37Å; E252-K256 PolarHBondContact O-N 3.44Å; K253-K256 WeakPolarHBondContact O-CB 3.15Å; K253-K256 PolarHBondContact O-N 2.87Å; K253-K256 VanDerWaalsContact O-N 3.13Å; K256-N258 PolarHBondContact O-N 3.21Å
257	D	90	Very high	90.4	Very high	32 Å²	32	80.1 Å²	80.1	17%	0.171	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.3	-179.9	-64.6	-9.1	0	0	0	112.7	M52 Y62 Y127 K253 R254 K255 L259	M52-D257 HydrophobicContact CE-CB 3.67Å; Y62-D257 PolarHBondContact OH-OD2 3.36Å; Y127-D257 HydrophobicContact CE2-CB 4.48Å; Y127-D257 WeakPolarHBondContact CE2-OD2 3.27Å; Y127-D257 VanDerWaalsContact CZ-OD2 3.31Å; Y127-D257 PolarHBondContact OH-OD2 3.41Å; K253-D257 VanDerWaalsContact O-CG 3.29Å; K253-D257 PolarHBondContact O-N 3.16Å; R254-D257 PolarHBondContact O-N 3.49Å; K255-D257 VanDerWaalsContact C-N 3.27Å; K255-D257 PolarHBondContact O-N 3.01Å; D257-L259 HydrophobicContact CB-CD1 4.19Å; D257-L259 HydrophobicContact CB-CG 4.23Å; D257-L259 PolarHBondContact O-N 3.07Å
258	N	84.8	Confident	89.8	Confident	146 Å²	146	86.3 Å²	86.3	78%	0.781	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.6	-178.6	-59.8	-54.2	0	0	0	114.5	R254 K255 K256 S260	R254-N258 PolarHBondContact O-N 3.47Å; K255-N258 PolarHBondContact O-N 3.32Å; K256-N258 PolarHBondContact O-N 3.21Å; N258-S260 PolarHBondContact O-N 3.31Å
259	L	77.7	Confident	89.2	Confident	31 Å²	31	83.4 Å²	83.4	16%	0.162	41%	0.411	C	S	.	.			trans	-80.5	101.8	172.8	-65.1	169.4	0	0	0	108.5	M52 F53 Y127 R254 D257	M52-L259 HydrophobicContact SD-CD2 4.07Å; M52-L259 HydrophobicContact SD-CG 4.39Å; F53-L259 HydrophobicContact CE1-CD1 3.9Å; F53-L259 HydrophobicContact CZ-CD1 4.25Å; Y127-L259 HydrophobicContact CE1-CD1 4.1Å; Y127-L259 HydrophobicContact CE2-CD1 4.14Å; Y127-L259 WeakPolarHBondContact OH-CD1 3.39Å; R254-L259 HydrophobicContact CG-CB 3.78Å; R254-L259 WeakPolarHBondContact CG-O 3.45Å; R254-L259 PolarHBondContact NE-O 3.02Å; R254-L259 PolarHBondContact O-N 3.44Å; D257-L259 HydrophobicContact CB-CD1 4.19Å; D257-L259 HydrophobicContact CB-CG 4.23Å; D257-L259 PolarHBondContact O-N 3.07Å
260	S	60.9	Low	88.6	Confident	150 Å²	150	84.4 Å²	84.4	100%	1.049	42%	0.423	S	S	*	.			trans	-66.9	0	171.1	58.7	0	0	0	0	110.6	R254 N258	R254-S260 PolarHBondContact NE-OXT 3.3Å; R254-S260 PolarHBondContact NH2-O 3.37Å; R254-S260 PolarHBondContact NH2-OXT 2.82Å; N258-S260 PolarHBondContact O-N 3.31Å

Retrieved 260 of 260 residues in 218 ms (Link to these results)

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