A0A077Z596_TRITR Loading...

Peptidase, S1A subfamily

AlphaFold DB , UniProt , Accession A0A077Z596, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 345 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	32.3	Very low	241 Å²	241	157.7 Å²	157.7	100%	1.187	82%	0.822	S	S	*	*				0	101.3	0	-77.2	157.1	85.3	0	0	109.2
2	R	33.3	Very low	32.2	Very low	260 Å²	260	159.1 Å²	159.1	98%	0.981	83%	0.828	S	S	*	*			trans	162.1	88.8	154.8	-93.6	178	-174.4	-171.4	2.4	106.7
3	S	29	Very low	32.4	Very low	106 Å²	106	158.2 Å²	158.2	74%	0.741	82%	0.823	S	S	*	*			trans	-104.3	141.1	155.2	95.5	0	0	0	0	106.4
4	V	34.3	Very low	32.3	Very low	128 Å²	128	155.9 Å²	155.9	78%	0.776	81%	0.813	S	S	*	*			trans	-179.9	99.8	150.6	-177.2	0	0	0	0	102.9
5	D	33	Very low	32.5	Very low	136 Å²	136	158.5 Å²	158.5	73%	0.727	82%	0.819	S	S	*	*				66.6	139.9	78.8	-73.2	-33	0	0	0	116.8
6	N	33.2	Very low	32.5	Very low	140 Å²	140	162.8 Å²	162.8	75%	0.749	82%	0.822	S	S	*	*			trans	103.3	85.2	158.6	-60.8	-28.4	0	0	0	120.5
7	V	31.2	Very low	32.6	Very low	109 Å²	109	164.2 Å²	164.2	66%	0.661	82%	0.821	S	S	*	*				34.2	118.9	108.6	-173.5	0	0	0	0	118.4
8	H	34.2	Very low	32.7	Very low	196 Å²	196	163.4 Å²	163.4	91%	0.907	81%	0.814	S	S	*	*			trans	-136.9	96.8	143.7	-123.6	55.1	0	0	0	111.6
9	T	30.2	Very low	33	Very low	114 Å²	114	167.6 Å²	167.6	70%	0.699	82%	0.819	S	S	*	*			trans	-74.6	132.3	160.9	29.5	0	0	0	0	110.8
10	S	30	Very low	33.6	Very low	107 Å²	107	167.4 Å²	167.4	75%	0.748	81%	0.814	S	S	*	*				162.5	120.4	128.5	52.6	0	0	0	0	112.4
11	K	34.8	Very low	34.1	Very low	198 Å²	198	166.4 Å²	166.4	86%	0.861	81%	0.813	S	S	*	*			trans	-176.2	79.1	134.6	-101.1	171	-174.9	179	0	109.1
12	I	30.6	Very low	35	Very low	174 Å²	174	161.7 Å²	161.7	89%	0.892	79%	0.787	S	S	*	*			trans	-83.3	110.1	161.5	-65.2	171.8	0	0	0	106.1
13	L	34.4	Very low	36	Very low	148 Å²	148	153.9 Å²	153.9	78%	0.775	77%	0.771	S	S	*	*			trans	-130.7	80	170.5	-114.1	145.4	0	0	0	109.2	Q15	L13-Q15 PolarHBondContact O-N 3.18Å
14	N	32.1	Very low	37.4	Very low	126 Å²	126	151.4 Å²	151.4	67%	0.674	76%	0.756	S	S	*	*			trans	21	96.3	136	-131.8	0.3	0	0	0	116.9
15	Q	34.9	Very low	38.4	Very low	195 Å²	195	151.7 Å²	151.7	91%	0.911	75%	0.751	S	S	*	*			trans	-116.5	86	152.6	-72.9	-148.7	0.3	0	0	109.9	L13	L13-Q15 PolarHBondContact O-N 3.18Å
16	R	32.1	Very low	39.6	Very low	227 Å²	227	150.7 Å²	150.7	86%	0.857	75%	0.745	S	S	*	*			trans	-80.3	110.2	156.1	-80.6	179.4	171.3	179.6	-2.2	107.7
17	K	34.3	Very low	41	Very low	186 Å²	186	151.4 Å²	151.4	81%	0.809	74%	0.741	S	S	*	*			trans	-148.2	114.4	158	-112.3	179.8	178.5	174.3	0	111.8
18	H	35.2	Very low	42.6	Very low	150 Å²	150	150.9 Å²	150.9	69%	0.694	73%	0.734	S	S	*	*			trans	55.2	88	154.7	-71.3	-67.9	0	0	0	119.7	K20	H18-K20 VanDerWaalsContact C-N 3.27Å; H18-K20 PolarHBondContact O-N 3.47Å
19	R	37.5	Very low	43.9	Very low	243 Å²	243	146.9 Å²	146.9	92%	0.917	72%	0.718	S	S	*	*			trans	-66.7	88.8	141.6	-82.2	-176.8	174.9	-176.1	-1.9	108.5	N21	R19-N21 PolarHBondContact O-N 3.27Å
20	K	44.9	Very low	45.6	Very low	163 Å²	163	146.9 Å²	146.9	71%	0.709	71%	0.714	S	S	*	*			trans	-81.7	105.5	160.1	-82.9	-175.6	177.8	-179.1	0	107	H18 H22	H18-K20 VanDerWaalsContact C-N 3.27Å; H18-K20 PolarHBondContact O-N 3.47Å; K20-H22 PolarHBondContact O-N 2.57Å; K20-H22 VanDerWaalsContact O-N 3.15Å
21	N	44	Very low	47.1	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	70%	0.702	S	S	*	*			trans	-49.2	117.2	167.9	-71.4	-24	0	0	0	108.4	R19 P23	R19-N21 PolarHBondContact O-N 3.27Å; N21-P23 WeakPolarHBondContact O-CD 3.32Å
22	H	51.1	Low	48.4	Very low	141 Å²	141	140.6 Å²	140.6	65%	0.653	69%	0.687	S	S	*	*			trans	-92.5	92.7	176.6	-101	-82.8	0	0	0	109.3	K20 A24 M25	K20-H22 PolarHBondContact O-N 2.57Å; K20-H22 VanDerWaalsContact O-N 3.15Å; H22-A24 PolarHBondContact O-N 2.98Å; H22-A24 VanDerWaalsContact O-N 3.1Å; H22-M25 PolarHBondContact O-N 3.35Å
23	P	55.3	Low	49.9	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	67%	0.668	S	S	*	*	H	α-helix	trans	-60.8	-17.4	172.6	24.2	-34	0	0	0	112.8	N21 K27	N21-P23 WeakPolarHBondContact O-CD 3.32Å; P23-K27 PolarHBondContact O-N 3.08Å
24	A	57.5	Low	51	Low	53 Å²	53	131.6 Å²	131.6	44%	0.438	65%	0.651	S	S	.	*	H	α-helix	trans	-65.7	-39.6	176.6	0	0	0	0	0	113.3	H22 K27 I28	H22-A24 PolarHBondContact O-N 2.98Å; H22-A24 VanDerWaalsContact O-N 3.1Å; A24-K27 PolarHBondContact O-N 3.11Å; A24-I28 WeakPolarHBondContact O-CG1 3.18Å; A24-I28 PolarHBondContact O-N 3.29Å
25	M	56.1	Low	52.2	Low	135 Å²	135	129.3 Å²	129.3	67%	0.665	64%	0.642	S	S	*	*	H	α-helix	trans	-69.2	-35.4	-179.3	-91.6	-70.9	-101.3	0	0	112.3	H22 I28 L29	H22-M25 PolarHBondContact O-N 3.35Å; M25-I28 PolarHBondContact O-N 3.02Å; M25-L29 PolarHBondContact O-N 2.95Å
26	L	57.7	Low	53.2	Low	114 Å²	114	122.3 Å²	122.3	60%	0.597	62%	0.617	S	S	*	*	H	α-helix	trans	-68.7	-36.7	177.6	-168.3	66.8	0	0	0	111.8	L29 L30	L26-L29 PolarHBondContact O-N 2.87Å; L26-L30 HydrophobicContact CG-CD1 4.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.17Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.88Å; L26-L30 VanDerWaalsContact O-N 3.08Å
27	K	63	Low	54.3	Low	156 Å²	156	115.1 Å²	115.1	68%	0.678	60%	0.598	S	S	*	*	H	α-helix	trans	-64.7	-40.4	174.4	-76.6	-172.7	176.8	-174.4	0	112.3	P23 A24 L30 T31	P23-K27 PolarHBondContact O-N 3.08Å; A24-K27 PolarHBondContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 3.48Å; K27-T31 PolarHBondContact O-N 3.24Å; K27-T31 PolarHBondContact O-OG1 2.88Å; K27-T31 VanDerWaalsContact O-OG1 3.06Å
28	I	63.6	Low	55.1	Low	98 Å²	98	113 Å²	113	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-66.2	-40.8	177.5	-65.7	165.8	0	0	0	110.9	A24 M25 L30 T31 V32	A24-I28 WeakPolarHBondContact O-CG1 3.18Å; A24-I28 PolarHBondContact O-N 3.29Å; M25-I28 PolarHBondContact O-N 3.02Å; I28-L30 PolarHBondContact O-N 2.89Å; I28-T31 WeakPolarHBondContact CA-OG1 3.28Å; I28-T31 PolarHBondContact O-N 3.49Å; I28-T31 PolarHBondContact O-OG1 2.84Å; I28-V32 HydrophobicContact CG2-CG2 4.48Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.2Å; I28-V32 PolarHBondContact O-N 3.36Å
29	L	62.5	Low	55.9	Low	112 Å²	112	112.6 Å²	112.6	59%	0.586	59%	0.59	S	S	*	*	H	α-helix	trans	-64.9	-41.4	177.8	-165.8	71.5	0	0	0	111.6	M25 L26 V32 V33	M25-L29 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 2.87Å; L29-V32 PolarHBondContact O-N 3.1Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 2.95Å
30	L	65	Low	56.5	Low	114 Å²	114	105.7 Å²	105.7	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-38.8	177.5	-76.2	162.1	0	0	0	112.5	L26 K27 I28 A34	L26-L30 HydrophobicContact CG-CD1 4.27Å; L26-L30 WeakPolarHBondContact O-CD1 3.17Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 2.88Å; L26-L30 VanDerWaalsContact O-N 3.08Å; K27-L30 PolarHBondContact O-N 3.48Å; I28-L30 PolarHBondContact O-N 2.89Å; L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.08Å
31	T	62.8	Low	56.7	Low	84 Å²	84	102.8 Å²	102.8	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-39.1	175.8	43.9	0	0	0	0	112.4	K27 I28 V33 A34 V35	K27-T31 PolarHBondContact O-N 3.24Å; K27-T31 PolarHBondContact O-OG1 2.88Å; K27-T31 VanDerWaalsContact O-OG1 3.06Å; I28-T31 WeakPolarHBondContact CA-OG1 3.28Å; I28-T31 PolarHBondContact O-N 3.49Å; I28-T31 PolarHBondContact O-OG1 2.84Å; T31-V33 VanDerWaalsContact C-N 3.35Å; T31-V33 PolarHBondContact O-N 2.74Å; T31-A34 PolarHBondContact O-N 2.91Å; T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.49Å; T31-V35 PolarHBondContact O-N 2.84Å
32	V	62.4	Low	57	Low	89 Å²	89	100.1 Å²	100.1	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-41.8	175.3	173.3	0	0	0	0	111	I28 L29 V35 A36	I28-V32 HydrophobicContact CG2-CG2 4.48Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.2Å; I28-V32 PolarHBondContact O-N 3.36Å; L29-V32 PolarHBondContact O-N 3.1Å; V32-V35 PolarHBondContact O-N 3.41Å; V32-A36 VanDerWaalsContact O-CB 3.32Å; V32-A36 WeakPolarHBondContact O-CB 3.48Å; V32-A36 PolarHBondContact O-N 2.89Å
33	V	62.1	Low	57	Low	80 Å²	80	96.8 Å²	96.8	49%	0.485	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-42.4	175.2	174.8	0	0	0	0	110.9	L29 T31 V35 A36 V37	L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 2.95Å; T31-V33 VanDerWaalsContact C-N 3.35Å; T31-V33 PolarHBondContact O-N 2.74Å; V33-V35 PolarHBondContact O-N 2.63Å; V33-A36 PolarHBondContact O-N 3.43Å; V33-V37 HydrophobicContact CG1-CG2 4.12Å; V33-V37 WeakPolarHBondContact O-CB 2.95Å; V33-V37 WeakPolarHBondContact O-CG2 3.23Å; V33-V37 PolarHBondContact O-N 3.27Å
34	A	57.3	Low	56.9	Low	52 Å²	52	102.7 Å²	102.7	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-63.3	-40.7	177.6	0	0	0	0	0	112.4	L30 T31 V37 H38	L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.08Å; T31-A34 PolarHBondContact O-N 2.91Å; A34-V37 PolarHBondContact O-N 3.2Å; A34-H38 WeakPolarHBondContact O-CB 3.18Å; A34-H38 PolarHBondContact O-N 3.21Å
35	V	57.1	Low	56.8	Low	78 Å²	78	106.5 Å²	106.5	47%	0.473	58%	0.584	S	S	.	*	H	α-helix	trans	-66.8	-41.8	175.1	173.3	0	0	0	0	110.8	T31 V32 V33 V37 H38 Q39	T31-V35 VanDerWaalsContact O-CG2 3.29Å; T31-V35 WeakPolarHBondContact O-CG2 3.49Å; T31-V35 PolarHBondContact O-N 2.84Å; V32-V35 PolarHBondContact O-N 3.41Å; V33-V35 PolarHBondContact O-N 2.63Å; V35-V37 PolarHBondContact O-N 2.86Å; V35-H38 PolarHBondContact O-N 2.95Å; V35-Q39 HydrophobicContact CG1-CG 4.36Å; V35-Q39 VanDerWaalsContact O-CB 3.31Å; V35-Q39 WeakPolarHBondContact O-CB 3.4Å; V35-Q39 VanDerWaalsContact O-CG 3.3Å; V35-Q39 WeakPolarHBondContact O-CG 2.72Å; V35-Q39 PolarHBondContact O-N 3.49Å
36	A	55.2	Low	57.3	Low	48 Å²	48	101.7 Å²	101.7	40%	0.397	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-37	175.9	0	0	0	0	0	112.3	V32 V33 C40	V32-A36 VanDerWaalsContact O-CB 3.32Å; V32-A36 WeakPolarHBondContact O-CB 3.48Å; V32-A36 PolarHBondContact O-N 2.89Å; V33-A36 PolarHBondContact O-N 3.43Å; A36-C40 VanDerWaalsContact O-CB 3.31Å; A36-C40 WeakPolarHBondContact O-CB 3.33Å; A36-C40 PolarHBondContact O-N 2.9Å; A36-C40 PolarHBondContact O-SG 3.46Å
37	V	55.5	Low	58.2	Low	76 Å²	76	102.4 Å²	102.4	46%	0.461	57%	0.565	S	S	.	*	H	α-helix	trans	-69.8	-43	174.8	174.4	0	0	0	0	110.6	V33 A34 V35 C40 T41	V33-V37 HydrophobicContact CG1-CG2 4.12Å; V33-V37 WeakPolarHBondContact O-CB 2.95Å; V33-V37 WeakPolarHBondContact O-CG2 3.23Å; V33-V37 PolarHBondContact O-N 3.27Å; A34-V37 PolarHBondContact O-N 3.2Å; V35-V37 PolarHBondContact O-N 2.86Å; V37-C40 PolarHBondContact O-N 2.8Å; V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.34Å; V37-T41 PolarHBondContact O-OG1 2.75Å
38	H	51.1	Low	58.9	Low	142 Å²	142	95.4 Å²	95.4	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-65.6	-37.8	175.3	-95.6	51.7	0	0	0	112.8	A34 V35 C40 T41 S42	A34-H38 WeakPolarHBondContact O-CB 3.18Å; A34-H38 PolarHBondContact O-N 3.21Å; V35-H38 PolarHBondContact O-N 2.95Å; H38-C40 VanDerWaalsContact C-N 3.34Å; H38-T41 WeakPolarHBondContact CA-OG1 3.46Å; H38-T41 PolarHBondContact O-N 2.87Å; H38-T41 PolarHBondContact O-OG1 3.01Å; H38-S42 PolarHBondContact O-N 3.07Å
39	Q	51.5	Low	59.8	Low	142 Å²	142	92.8 Å²	92.8	66%	0.664	52%	0.519	S	S	*	.	H	α-helix	trans	-69.1	-33.3	173.3	-73.9	177.3	-2.1	0	0	111.5	V35	V35-Q39 HydrophobicContact CG1-CG 4.36Å; V35-Q39 VanDerWaalsContact O-CB 3.31Å; V35-Q39 WeakPolarHBondContact O-CB 3.4Å; V35-Q39 VanDerWaalsContact O-CG 3.3Å; V35-Q39 WeakPolarHBondContact O-CG 2.72Å; V35-Q39 PolarHBondContact O-N 3.49Å
40	C	51	Low	60.8	Low	98 Å²	98	90.9 Å²	90.9	66%	0.662	51%	0.51	S	S	*	.	H	α-helix	trans	-71.2	-35.2	172.6	-84.9	0	0	0	0	113.3	A36 V37 H38 S42	A36-C40 VanDerWaalsContact O-CB 3.31Å; A36-C40 WeakPolarHBondContact O-CB 3.33Å; A36-C40 PolarHBondContact O-N 2.9Å; A36-C40 PolarHBondContact O-SG 3.46Å; V37-C40 PolarHBondContact O-N 2.8Å; H38-C40 VanDerWaalsContact C-N 3.34Å; C40-S42 VanDerWaalsContact C-N 3.25Å; C40-S42 PolarHBondContact O-N 3.43Å
41	T	50.1	Low	61.7	Low	101 Å²	101	85.9 Å²	85.9	62%	0.62	48%	0.484	S	S	*	.	H	α-helix	trans	-72.6	-18.6	178.4	49.7	0	0	0	0	113.4	V37 H38	V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.34Å; V37-T41 PolarHBondContact O-OG1 2.75Å; H38-T41 WeakPolarHBondContact CA-OG1 3.46Å; H38-T41 PolarHBondContact O-N 2.87Å; H38-T41 PolarHBondContact O-OG1 3.01Å
42	S	49.6	Very low	62.8	Low	92 Å²	92	84.1 Å²	84.1	64%	0.643	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.8	179.7	-134.7	0	0	0	0	114.3	H38 C40 R44	H38-S42 PolarHBondContact O-N 3.07Å; C40-S42 VanDerWaalsContact C-N 3.25Å; C40-S42 PolarHBondContact O-N 3.43Å; S42-R44 PolarHBondContact O-N 3.26Å
43	A	51.5	Low	64.2	Low	71 Å²	71	81.9 Å²	81.9	59%	0.587	47%	0.468	S	S	*	.	S	Bend	trans	-70.6	72.6	155.9	0	0	0	0	0	107	I45	A43-I45 PolarHBondContact O-N 2.9Å
44	R	53.1	Low	65.7	Low	222 Å²	222	78.1 Å²	78.1	84%	0.838	45%	0.445	S	S	*	.			trans	-47.8	111.8	165.4	-74.1	-175.4	-170.6	-173.3	2.8	104.8	S42 S46	S42-R44 PolarHBondContact O-N 3.26Å; R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 2.82Å
45	I	54.6	Low	67.5	Low	132 Å²	132	75.7 Å²	75.7	68%	0.677	43%	0.425	S	S	*	.			trans	-56.9	104.8	168.2	-64.2	172.5	0	0	0	102.9	A43 E47	A43-I45 PolarHBondContact O-N 2.9Å; I45-E47 PolarHBondContact O-N 3.03Å
46	S	67.6	Low	69.3	Low	35 Å²	35	76.1 Å²	76.1	25%	0.245	42%	0.419	C	S	.	.			trans	-68.9	106.9	-177.1	49.3	0	0	0	0	106.7	R44 Q200 N201	R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 2.82Å; S46-Q200 PolarHBondContact OG-O 3.16Å; S46-N201 WeakPolarHBondContact OG-CB 3.23Å
47	E	75.7	Confident	71.1	Confident	129 Å²	129	75.2 Å²	75.2	60%	0.603	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-59.4	147.7	172.6	-66.6	179.8	175	0	0	108.7	I45 Q200	I45-E47 PolarHBondContact O-N 3.03Å; E47-Q200 PolarHBondContact O-OE1 2.92Å
48	P	77.9	Confident	72.9	Confident	9 Å²	9	74.2 Å²	74.2	6%	0.058	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.5	151.8	174.5	26.9	-34.4	0	0	0	110.1	D50 H301 L303 T305	P48-D50 PolarHBondContact O-N 2.92Å; P48-H301 HydrophobicContact CG-CB 4.23Å; P48-L303 HydrophobicContact CG-CD1 4.35Å; P48-T305 HydrophobicContact CB-CG2 3.87Å; P48-T305 WeakPolarHBondContact CB-OG1 3.19Å
49	Y	81.4	Confident	74.9	Confident	43 Å²	43	70.4 Å²	70.4	17%	0.169	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-62.5	121.7	171.1	167.8	-100.2	0	0	0	109.8	D51 C54 P100 C197 L198 W342	Y49-D51 HydrophobicContact CE1-CB 3.93Å; Y49-C54 PolarHBondContact O-SG 2.76Å; Y49-P100 HydrophobicContact CD1-CG 4.31Å; Y49-P100 HydrophobicContact CE1-CB 4.11Å; Y49-P100 HydrophobicContact CE1-CG 3.98Å; Y49-C197 WeakPolarHBondContact O-CB 3.42Å; Y49-C197 PolarHBondContact O-SG 2.79Å; Y49-L198 PolarHBondContact N-O 3.23Å; Y49-W342 HydrophobicContact CD1-CB 3.91Å; Y49-W342 HydrophobicContact CD2-CB 3.53Å; Y49-W342 HydrophobicContact CE1-CB 4.28Å; Y49-W342 HydrophobicContact CE2-CB 3.91Å; Y49-W342 HydrophobicContact CG-CB 3.51Å; Y49-W342 HydrophobicContact CG-CG 4.43Å
50	D	83.4	Confident	76.6	Confident	72 Å²	72	71.4 Å²	71.4	39%	0.385	39%	0.392	S	S	.	.			trans	-122.1	114.3	178.1	-174.2	8.8	0	0	0	110.7	P48 G52 R56 L303	P48-D50 PolarHBondContact O-N 2.92Å; D50-G52 VanDerWaalsContact C-N 3.33Å; D50-G52 WeakPolarHBondContact OD1-CA 3.43Å; D50-G52 PolarHBondContact OD1-N 3.37Å; D50-R56 VanDerWaalsContact CG-NH2 3.32Å; D50-R56 IonicContact OD1-CZ 2.94Å; D50-R56 IonicContact OD1-NH1 3.23Å; D50-R56 PolarHBondContact OD1-NH1 3.06Å; D50-R56 IonicContact OD1-NH2 3.38Å; D50-R56 PolarHBondContact OD1-NH2 2.72Å; D50-R56 VanDerWaalsContact OD1-NH2 3.12Å; D50-R56 IonicContact OD2-CZ 3.63Å; D50-R56 IonicContact OD2-NH1 3.51Å; D50-R56 IonicContact OD2-NH2 3.68Å; D50-R56 PolarHBondContact OD2-NH2 3.41Å; D50-L303 HydrophobicContact CB-CD1 3.84Å
51	D	84.5	Confident	78.3	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.048	36%	0.363	C	S	.	.			trans	-88.5	-1.6	174.9	62.6	15.1	0	0	0	113.2	Y49 V53 C54 K104	Y49-D51 HydrophobicContact CE1-CB 3.93Å; D51-V53 WeakPolarHBondContact OD1-CA 3.48Å; D51-V53 PolarHBondContact OD1-N 2.76Å; D51-C54 WeakPolarHBondContact OD1-CB 3.39Å; D51-C54 PolarHBondContact OD1-N 2.94Å; D51-K104 HydrophobicContact CB-CD 4.5Å; D51-K104 WeakPolarHBondContact O-CE 3.44Å; D51-K104 PolarHBondContact O-NZ 2.87Å
52	G	87.1	Confident	79.5	Confident	46 Å²	46	66 Å²	66	47%	0.474	35%	0.349	S	S	.	.	S	Bend	trans	93.4	-10.6	-173.9	0	0	0	0	0	114.5	D50	D50-G52 VanDerWaalsContact C-N 3.33Å; D50-G52 WeakPolarHBondContact OD1-CA 3.43Å; D50-G52 PolarHBondContact OD1-N 3.37Å
53	V	90.1	Very high	80.1	Confident	43 Å²	43	62.6 Å²	62.6	26%	0.261	33%	0.327	S	S	.	.	S	Bend	trans	-122.4	-39.5	-174.9	-177.5	0	0	0	0	111.7	D51 K104 F189	D51-V53 WeakPolarHBondContact OD1-CA 3.48Å; D51-V53 PolarHBondContact OD1-N 2.76Å; V53-K104 HydrophobicContact CG2-CB 4.48Å; V53-F189 HydrophobicContact CG1-CD2 4.35Å
54	C	94.5	Very high	80.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	154.5	-176.9	72.5	0	0	0	0	112.2	Y49 D51 R56 S195 C197	Y49-C54 PolarHBondContact O-SG 2.76Å; D51-C54 WeakPolarHBondContact OD1-CB 3.39Å; D51-C54 PolarHBondContact OD1-N 2.94Å; C54-R56 WeakPolarHBondContact O-CG 3.12Å; C54-R56 PolarHBondContact O-N 2.81Å; C54-R56 PolarHBondContact O-NH1 3.01Å; C54-S195 WeakPolarHBondContact CA-O 3.42Å; C54-C197 HydrophobicContact CB-CB 4.12Å; C54-C197 WeakPolarHBondContact CB-SG 3.33Å; C54-C197 PolarHBondContact O-SG 3.31Å; C54-C197 WeakPolarHBondContact SG-CA 3.17Å; C54-C197 WeakPolarHBondContact SG-CB 3.48Å; C54-C197 CovalentContact SG-SG 2.07Å; C54-C197 PolarHBondContact SG-SG 2.65Å
55	G	94.7	Very high	80.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	10.7	169.8	0	0	0	0	0	115.2	S195 W304	G55-S195 PolarHBondContact N-O 2.65Å; G55-W304 VanDerWaalsContact CA-O 3.26Å; G55-W304 WeakPolarHBondContact CA-O 3.17Å; G55-W304 PolarHBondContact O-N 2.74Å
56	R	94.3	Very high	79.7	Confident	88 Å²	88	58.2 Å²	58.2	33%	0.332	30%	0.302	S	S	.	.			trans	-114.1	89.2	-177.7	-67.8	169.7	-177.5	82.8	-7.9	111.1	D50 C54 K194 L303	D50-R56 VanDerWaalsContact CG-NH2 3.32Å; D50-R56 IonicContact OD1-CZ 2.94Å; D50-R56 IonicContact OD1-NH1 3.23Å; D50-R56 PolarHBondContact OD1-NH1 3.06Å; D50-R56 IonicContact OD1-NH2 3.38Å; D50-R56 PolarHBondContact OD1-NH2 2.72Å; D50-R56 VanDerWaalsContact OD1-NH2 3.12Å; D50-R56 IonicContact OD2-CZ 3.63Å; D50-R56 IonicContact OD2-NH1 3.51Å; D50-R56 IonicContact OD2-NH2 3.68Å; D50-R56 PolarHBondContact OD2-NH2 3.41Å; C54-R56 WeakPolarHBondContact O-CG 3.12Å; C54-R56 PolarHBondContact O-N 2.81Å; C54-R56 PolarHBondContact O-NH1 3.01Å; R56-K194 VanDerWaalsContact O-CD 3.23Å; R56-K194 WeakPolarHBondContact O-CD 3.11Å; R56-K194 PolarHBondContact O-NZ 2.98Å; R56-L303 HydrophobicContact CG-CD2 4Å
57	S	94	Very high	78.6	Confident	28 Å²	28	65.3 Å²	65.3	20%	0.196	32%	0.323	C	S	.	.			trans	-70.2	132.4	172.8	-169.1	0	0	0	0	110.7	F59 S80 P82	S57-F59 WeakPolarHBondContact CB-O 3.46Å; S57-F59 PolarHBondContact O-N 3.41Å; S57-F59 PolarHBondContact OG-N 3.23Å; S57-F59 PolarHBondContact OG-O 3.21Å; S57-S80 WeakPolarHBondContact CB-O 3.34Å; S57-S80 PolarHBondContact OG-O 2.94Å; S57-P82 WeakPolarHBondContact OG-CD 3.44Å
58	S	93.6	Very high	77.1	Confident	56 Å²	56	65.5 Å²	65.5	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	-74.3	-17.1	173.8	-59.2	0	0	0	0	111.8	D191 K194	S58-D191 VanDerWaalsContact CB-OD1 3.32Å; S58-D191 WeakPolarHBondContact CB-OD1 3.48Å; S58-D191 PolarHBondContact OG-OD1 3.45Å; S58-K194 PolarHBondContact OG-NZ 3.17Å
59	F	92.7	Very high	75	Confident	62 Å²	62	76.4 Å²	76.4	27%	0.272	37%	0.368	S	S	.	.	S	Bend	trans	-111.6	133.8	177.9	-51.1	-86.3	0	0	0	109.9	S57 I61 H79 D191 Y192	S57-F59 WeakPolarHBondContact CB-O 3.46Å; S57-F59 PolarHBondContact O-N 3.41Å; S57-F59 PolarHBondContact OG-N 3.23Å; S57-F59 PolarHBondContact OG-O 3.21Å; F59-I61 PolarHBondContact O-N 2.98Å; F59-H79 HydrophobicContact CD2-CB 3.66Å; F59-H79 WeakPolarHBondContact CD2-O 3.37Å; F59-H79 HydrophobicContact CE2-CB 3.63Å; F59-H79 HydrophobicContact CG-CB 4.29Å; F59-H79 HydrophobicContact CZ-CB 4.26Å; F59-D191 HydrophobicContact CE2-CB 4.08Å; F59-D191 VanDerWaalsContact CE2-O 3.28Å; F59-D191 WeakPolarHBondContact CE2-O 3.37Å; F59-D191 HydrophobicContact CZ-CB 4.3Å; F59-Y192 HydrophobicContact CE1-CE1 4.48Å; F59-Y192 AromaticContact CE2-CD1 3.76Å; F59-Y192 HydrophobicContact CE2-CD1 3.76Å; F59-Y192 AromaticContact CE2-CE1 3.89Å; F59-Y192 HydrophobicContact CE2-CE1 3.89Å; F59-Y192 HydrophobicContact CE2-CG 4.47Å; F59-Y192 AromaticContact CZ-CD1 3.85Å; F59-Y192 HydrophobicContact CZ-CD1 3.85Å; F59-Y192 AromaticContact CZ-CE1 3.46Å; F59-Y192 HydrophobicContact CZ-CE1 3.46Å; F59-Y192 VanDerWaalsContact CZ-CE1 3.46Å
60	Q	87.5	Confident	73	Confident	162 Å²	162	76 Å²	76	76%	0.757	37%	0.369	S	S	*	.			trans	-60.7	129.8	-178.4	-176.6	175.6	63.7	0	0	110.5	N77	Q60-N77 WeakPolarHBondContact O-CB 3.39Å; Q60-N77 PolarHBondContact O-ND2 2.88Å
61	I	86.1	Confident	70.7	Confident	12 Å²	12	77.3 Å²	77.3	6%	0.062	38%	0.379	C	S	.	.			trans	-77.1	134.4	169.3	-50.1	-159.2	0	0	0	108.4	F59 A63 S80 W83 L211 E251 W304	F59-I61 PolarHBondContact O-N 2.98Å; I61-A63 HydrophobicContact CB-CB 4.29Å; I61-A63 HydrophobicContact CG2-CB 3.89Å; I61-A63 PolarHBondContact O-N 3.37Å; I61-S80 WeakPolarHBondContact CD1-O 3.39Å; I61-S80 WeakPolarHBondContact CG1-O 3.4Å; I61-W83 HydrophobicContact CD1-CH2 3.66Å; I61-W83 HydrophobicContact CD1-CZ2 3.62Å; I61-L211 HydrophobicContact CG2-CD1 3.53Å; I61-E251 WeakPolarHBondContact CG2-OE2 3.23Å; I61-W304 HydrophobicContact CB-CZ2 3.9Å; I61-W304 HydrophobicContact CD1-CD2 3.94Å; I61-W304 VanDerWaalsContact CD1-CE2 3.49Å; I61-W304 HydrophobicContact CD1-CG 4.31Å; I61-W304 HydrophobicContact CD1-CH2 4.37Å; I61-W304 HydrophobicContact CD1-CZ2 3.75Å; I61-W304 HydrophobicContact CG1-CZ2 4.01Å; I61-W304 HydrophobicContact CG2-CZ2 4.38Å
62	K	76.6	Confident	69.5	Low	74 Å²	74	78.9 Å²	78.9	32%	0.322	40%	0.397	S	S	.	.			trans	-64.5	5.7	-179.3	-65.9	-177.4	-175.7	167.8	0	113.7	N64 H74 E75 A76 N77 E251	K62-N64 PolarHBondContact O-N 3.24Å; K62-H74 WeakPolarHBondContact CB-NE2 3.32Å; K62-E75 WeakPolarHBondContact CD-O 3.43Å; K62-E75 WeakPolarHBondContact CE-O 3.49Å; K62-E75 PolarHBondContact NZ-O 2.97Å; K62-A76 PolarHBondContact NZ-O 2.99Å; K62-N77 VanDerWaalsContact CE-CG 3.45Å; K62-N77 WeakPolarHBondContact CE-OD1 3.46Å; K62-N77 HydrophobicContact CG-CB 4.17Å; K62-N77 VanDerWaalsContact CG-ND2 3.33Å; K62-N77 WeakPolarHBondContact CG-ND2 3.38Å; K62-N77 WeakPolarHBondContact CG-OD1 3.28Å; K62-E251 WeakPolarHBondContact CB-OE1 3.39Å
63	A	62	Low	68.9	Low	21 Å²	21	77.9 Å²	77.9	17%	0.174	39%	0.387	C	S	.	.			trans	-59.6	74.9	174.2	0	0	0	0	0	110.7	I61 I65 L211 W304	I61-A63 HydrophobicContact CB-CB 4.29Å; I61-A63 HydrophobicContact CG2-CB 3.89Å; I61-A63 PolarHBondContact O-N 3.37Å; A63-I65 HydrophobicContact CB-CD1 3.96Å; A63-I65 HydrophobicContact CB-CG1 3.58Å; A63-I65 PolarHBondContact O-N 2.62Å; A63-L211 HydrophobicContact CB-CD1 3.77Å; A63-L211 HydrophobicContact CB-CD2 4.11Å; A63-L211 HydrophobicContact CB-CG 4.4Å; A63-W304 HydrophobicContact CB-CH2 3.8Å; A63-W304 HydrophobicContact CB-CZ2 4.29Å
64	N	53.6	Low	68.8	Low	86 Å²	86	78.2 Å²	78.2	46%	0.46	39%	0.386	S	S	.	.			trans	-71.1	58.8	158.9	-138.4	-31.4	0	0	0	106.3	K62 K66 R67	K62-N64 PolarHBondContact O-N 3.24Å; N64-K66 PolarHBondContact O-N 3.2Å; N64-R67 PolarHBondContact O-N 2.71Å
65	I	52.8	Low	68.7	Low	53 Å²	53	81.1 Å²	81.1	27%	0.272	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.8	-175.8	-67	179.3	0	0	0	109.7	A63 K209 W304	A63-I65 HydrophobicContact CB-CD1 3.96Å; A63-I65 HydrophobicContact CB-CG1 3.58Å; A63-I65 PolarHBondContact O-N 2.62Å; I65-K209 HydrophobicContact CG2-CB 3.75Å; I65-K209 HydrophobicContact CG2-CD 3.35Å; I65-K209 HydrophobicContact CG2-CG 4.2Å; I65-K209 WeakPolarHBondContact O-CD 3.43Å; I65-K209 PolarHBondContact O-NZ 3.13Å; I65-W304 HydrophobicContact CD1-CH2 3.81Å; I65-W304 HydrophobicContact CD1-CZ3 4.29Å
66	K	44.4	Very low	68.7	Low	194 Å²	194	81 Å²	81	84%	0.843	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.2	175.5	-64.7	-173.7	178.3	-179.5	0	114.1	N64	N64-K66 PolarHBondContact O-N 3.2Å
67	R	44.1	Very low	68.7	Low	184 Å²	184	79 Å²	79	69%	0.694	40%	0.395	S	S	*	.	S	Bend	trans	-97.3	124.5	-179.3	-68.2	-174.1	176.5	170.2	0.8	111.4	N64 R69	N64-R67 PolarHBondContact O-N 2.71Å; R67-R69 PolarHBondContact O-N 3.45Å
68	N	43.5	Very low	68.8	Low	133 Å²	133	80.6 Å²	80.6	71%	0.711	40%	0.404	S	S	*	.			trans	-70	8.5	-178.1	-79.2	-29.3	0	0	0	114.9
69	R	34.5	Very low	68.9	Low	238 Å²	238	79.3 Å²	79.3	90%	0.898	39%	0.392	S	S	*	.			trans	-107.8	75.3	-170.9	-164.7	-178.3	-177.9	129.5	-1	111.4	R67	R67-R69 PolarHBondContact O-N 3.45Å
70	I	38.1	Very low	69.1	Low	35 Å²	35	76.4 Å²	76.4	18%	0.179	38%	0.379	C	S	.	.			trans	-132.5	134.1	161.6	-57.7	179.3	0	0	0	103.7	K285	I70-K285 VanDerWaalsContact C-CE 3.49Å; I70-K285 WeakPolarHBondContact O-CE 3.4Å; I70-K285 PolarHBondContact O-NZ 2.91Å
71	T	35.7	Very low	69.6	Low	98 Å²	98	69 Å²	69	60%	0.601	34%	0.344	S	S	*	.			trans	-129.2	129.8	174.4	42.4	0	0	0	0	109	G73 E281	T71-G73 VanDerWaalsContact C-N 3.29Å; T71-G73 PolarHBondContact O-N 3.22Å; T71-E281 WeakPolarHBondContact CA-OE2 3.48Å; T71-E281 WeakPolarHBondContact CG2-OE2 3.43Å
72	G	60	Low	70.1	Confident	42 Å²	42	68.4 Å²	68.4	43%	0.433	34%	0.342	S	S	.	.	S	Bend	trans	71.2	2	169.1	0	0	0	0	0	118.9
73	G	73.9	Confident	71.2	Confident	26 Å²	26	64.9 Å²	64.9	27%	0.268	33%	0.326	S	S	.	.			trans	97.7	167.3	-177.3	0	0	0	0	0	112.6	T71 E251	T71-G73 VanDerWaalsContact C-N 3.29Å; T71-G73 PolarHBondContact O-N 3.22Å; G73-E251 CarbonylContact C-O 3.59Å; G73-E251 VanDerWaalsContact CA-O 3.31Å; G73-E251 WeakPolarHBondContact CA-O 3.49Å
74	H	87.7	Confident	72.9	Confident	50 Å²	50	64.1 Å²	64.1	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	163.7	176.8	62.2	-49.1	0	0	0	110.3	K62 A76 M250 E251	K62-H74 WeakPolarHBondContact CB-NE2 3.32Å; H74-A76 PolarHBondContact O-N 2.83Å; H74-M250 CarbonylContact O-C 3.58Å; H74-M250 WeakPolarHBondContact O-CA 3.2Å; H74-E251 IonicContact CE1-OE1 2.8Å; H74-E251 PolarHBondContact CE1-OE1 2.82Å; H74-E251 VanDerWaalsContact CE1-OE1 3.23Å; H74-E251 PolarHBondContact N-O 2.98Å; H74-E251 PolarHBondContact ND1-O 2.99Å; H74-E251 IonicContact NE2-OE1 3.19Å; H74-E251 PolarHBondContact O-N 3Å
75	E	92.5	Very high	75	Confident	60 Å²	60	60 Å²	60	28%	0.28	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	130	173.4	-168.2	-173.9	145.8	0	0	109.1	K62 H149 R248 M250	K62-E75 WeakPolarHBondContact CD-O 3.43Å; K62-E75 WeakPolarHBondContact CE-O 3.49Å; K62-E75 PolarHBondContact NZ-O 2.97Å; E75-H149 IonicContact OE1-CE1 2.72Å; E75-H149 IonicContact OE1-NE2 3.73Å; E75-H149 PolarHBondContact OE1-NE2 2.84Å; E75-R248 HydrophobicContact CG-CB 4.05Å; E75-R248 WeakPolarHBondContact OE1-CD 3.39Å; E75-R248 IonicContact OE1-NH1 3.63Å; E75-R248 WeakPolarHBondContact OE2-CD 3.36Å; E75-R248 IonicContact OE2-NH1 3.11Å; E75-R248 PolarHBondContact OE2-NH1 2.96Å; E75-R248 VanDerWaalsContact OE2-NH1 3.11Å; E75-M250 HydrophobicContact CB-SD 4.18Å; E75-M250 VanDerWaalsContact N-CE 3.33Å
76	A	94.2	Very high	77.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.8	163.2	173.5	0	0	0	0	0	110.5	K62 H74 H149 L249 E251	K62-A76 PolarHBondContact NZ-O 2.99Å; H74-A76 PolarHBondContact O-N 2.83Å; A76-H149 PolarHBondContact O-CE1 3.36Å; A76-L249 HydrophobicContact CB-CB 4.37Å; A76-L249 HydrophobicContact CB-CD2 4.07Å; A76-L249 HydrophobicContact CB-CG 4.1Å; A76-L249 PolarHBondContact N-O 3.05Å; A76-E251 HydrophobicContact CB-CB 4.26Å; A76-E251 HydrophobicContact CB-CG 4.05Å
77	N	95.1	Very high	79.7	Confident	46 Å²	46	49 Å²	49	25%	0.246	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-65.5	138.1	162.1	-86.8	-23.7	0	0	0	107.7	Q60 K62 H79 S80	Q60-N77 WeakPolarHBondContact O-CB 3.39Å; Q60-N77 PolarHBondContact O-ND2 2.88Å; K62-N77 VanDerWaalsContact CE-CG 3.45Å; K62-N77 WeakPolarHBondContact CE-OD1 3.46Å; K62-N77 HydrophobicContact CG-CB 4.17Å; K62-N77 VanDerWaalsContact CG-ND2 3.33Å; K62-N77 WeakPolarHBondContact CG-ND2 3.38Å; K62-N77 WeakPolarHBondContact CG-OD1 3.28Å; N77-H79 PolarHBondContact O-N 2.93Å; N77-S80 PolarHBondContact N-OG 2.83Å; N77-S80 VanDerWaalsContact O-CB 3.23Å; N77-S80 WeakPolarHBondContact O-CB 3.32Å; N77-S80 PolarHBondContact O-N 3.47Å; N77-S80 PolarHBondContact O-OG 2.98Å
78	P	96	Very high	82	Confident	60 Å²	60	43 Å²	43	39%	0.39	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	131.3	176.7	-29.3	35.4	0	0	0	111.9	S80 H149	P78-S80 PolarHBondContact O-N 2.8Å; P78-H149 HydrophobicContact CB-CB 4.34Å
79	H	96.6	Very high	84	Confident	30 Å²	30	37 Å²	37	14%	0.139	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	10.8	177.3	-44.1	-70.7	0	0	0	116	F59 N77 H81 G147 E156 Y192	F59-H79 HydrophobicContact CD2-CB 3.66Å; F59-H79 WeakPolarHBondContact CD2-O 3.37Å; F59-H79 HydrophobicContact CE2-CB 3.63Å; F59-H79 HydrophobicContact CG-CB 4.29Å; F59-H79 HydrophobicContact CZ-CB 4.26Å; N77-H79 PolarHBondContact O-N 2.93Å; H79-H81 PolarHBondContact O-N 2.85Å; H79-G147 PolarHBondContact ND1-O 2.86Å; H79-E156 IonicContact CE1-OE1 3.71Å; H79-Y192 HydrophobicContact CB-CD1 3.71Å; H79-Y192 HydrophobicContact CB-CE1 4.35Å; H79-Y192 AromaticContact CD2-CD1 3.9Å; H79-Y192 AromaticContact CD2-CE1 3.85Å; H79-Y192 AromaticContact CG-CD1 3.48Å; H79-Y192 VanDerWaalsContact CG-CD1 3.48Å; H79-Y192 AromaticContact CG-CE1 3.92Å; H79-Y192 AromaticContact ND1-CD1 3.73Å
80	S	96.3	Very high	86.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.178	C	C	.	.			trans	-71.2	-11.2	-176.2	63.2	0	0	0	0	115.3	S57 I61 N77 P78 P82	S57-S80 WeakPolarHBondContact CB-O 3.34Å; S57-S80 PolarHBondContact OG-O 2.94Å; I61-S80 WeakPolarHBondContact CD1-O 3.39Å; I61-S80 WeakPolarHBondContact CG1-O 3.4Å; N77-S80 PolarHBondContact N-OG 2.83Å; N77-S80 VanDerWaalsContact O-CB 3.23Å; N77-S80 WeakPolarHBondContact O-CB 3.32Å; N77-S80 PolarHBondContact O-N 3.47Å; N77-S80 PolarHBondContact O-OG 2.98Å; P78-S80 PolarHBondContact O-N 2.8Å; S80-P82 VanDerWaalsContact C-CD 3.42Å; S80-P82 VanDerWaalsContact O-CD 3.26Å; S80-P82 WeakPolarHBondContact O-CD 3.31Å
81	H	97.2	Very high	88.4	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.028	21%	0.207	C	C	.	.			trans	-116	71.3	174.9	-65.7	-114	0	0	0	110.5	H79 W83 I84 S213 L249 E251	H79-H81 PolarHBondContact O-N 2.85Å; H81-W83 HydrophobicContact CB-CZ2 4.36Å; H81-W83 AromaticContact ND1-NE1 3.66Å; H81-W83 PolarHBondContact O-N 3.44Å; H81-I84 HydrophobicContact CB-CB 4.47Å; H81-I84 HydrophobicContact CB-CG2 3.95Å; H81-I84 WeakPolarHBondContact O-CG2 3.39Å; H81-I84 PolarHBondContact O-N 2.91Å; H81-S213 PolarHBondContact CE1-OG 2.92Å; H81-S213 WeakPolarHBondContact ND1-CB 3.26Å; H81-S213 PolarHBondContact ND1-OG 2.85Å; H81-L249 HydrophobicContact CB-CD2 3.83Å; H81-E251 IonicContact CD2-OE2 3.7Å; H81-E251 IonicContact CE1-OE2 2.96Å; H81-E251 IonicContact NE2-OE2 2.9Å; H81-E251 PolarHBondContact NE2-OE2 3.3Å
82	P	97.9	Very high	90.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.7	-172.4	29.9	-38.7	0	0	0	114.4	S57 S80 Y192 V193 K194	S57-P82 WeakPolarHBondContact OG-CD 3.44Å; S80-P82 VanDerWaalsContact C-CD 3.42Å; S80-P82 VanDerWaalsContact O-CD 3.26Å; S80-P82 WeakPolarHBondContact O-CD 3.31Å; P82-Y192 VanDerWaalsContact CA-O 3.23Å; P82-Y192 WeakPolarHBondContact CA-O 3.42Å; P82-Y192 VanDerWaalsContact CB-O 3.22Å; P82-Y192 WeakPolarHBondContact CB-O 3.46Å; P82-V193 WeakPolarHBondContact O-CA 3.4Å; P82-K194 CarbonylContact C-O 3.5Å; P82-K194 VanDerWaalsContact C-O 3.28Å; P82-K194 HydrophobicContact CB-CB 4.16Å; P82-K194 HydrophobicContact CB-CG 4.38Å; P82-K194 HydrophobicContact CG-CB 4.12Å; P82-K194 HydrophobicContact CG-CG 4.49Å; P82-K194 PolarHBondContact O-N 3.4Å
83	W	98.2	Very high	92.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-16.2	179.2	44.6	72.3	0	0	0	115.4	I61 H81 V97 I98 K194 P196 I297 W304	I61-W83 HydrophobicContact CD1-CH2 3.66Å; I61-W83 HydrophobicContact CD1-CZ2 3.62Å; H81-W83 HydrophobicContact CB-CZ2 4.36Å; H81-W83 AromaticContact ND1-NE1 3.66Å; H81-W83 PolarHBondContact O-N 3.44Å; W83-V97 HydrophobicContact CB-CG1 4.41Å; W83-V97 WeakPolarHBondContact O-CA 3.22Å; W83-I98 PolarHBondContact O-N 2.85Å; W83-K194 WeakPolarHBondContact CA-O 3.44Å; W83-K194 VanDerWaalsContact CB-O 3.31Å; W83-K194 WeakPolarHBondContact CB-O 3.22Å; W83-K194 PolarHBondContact N-O 2.97Å; W83-P196 HydrophobicContact CB-CB 4.22Å; W83-P196 VanDerWaalsContact CB-CD 3.44Å; W83-P196 HydrophobicContact CB-CG 3.89Å; W83-P196 HydrophobicContact CD2-CB 4.16Å; W83-P196 HydrophobicContact CE3-CB 4.26Å; W83-P196 HydrophobicContact CG-CB 4.13Å; W83-P196 HydrophobicContact CG-CG 4.19Å; W83-I297 HydrophobicContact CH2-CD1 4.31Å; W83-I297 HydrophobicContact CZ2-CD1 3.31Å; W83-W304 HydrophobicContact CH2-CB 3.49Å; W83-W304 VanDerWaalsContact CH2-CB 3.49Å; W83-W304 AromaticContact CH2-CD1 3.59Å; W83-W304 HydrophobicContact CH2-CD2 4.28Å; W83-W304 AromaticContact CH2-CG 3.49Å; W83-W304 HydrophobicContact CH2-CG 3.49Å; W83-W304 VanDerWaalsContact CH2-CG 3.49Å; W83-W304 HydrophobicContact CZ2-CB 4.14Å; W83-W304 HydrophobicContact CZ2-CG 4.2Å; W83-W304 HydrophobicContact CZ3-CB 3.81Å; W83-W304 HydrophobicContact CZ3-CG 4.18Å
84	I	98.2	Very high	93.3	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140	-177.7	-161.4	174.2	0	0	0	109.7	H81 G96 S213 W215 L249 P295	H81-I84 HydrophobicContact CB-CB 4.47Å; H81-I84 HydrophobicContact CB-CG2 3.95Å; H81-I84 WeakPolarHBondContact O-CG2 3.39Å; H81-I84 PolarHBondContact O-N 2.91Å; I84-G96 WeakPolarHBondContact CA-O 2.96Å; I84-S213 VanDerWaalsContact CD1-O 3.31Å; I84-S213 WeakPolarHBondContact CD1-O 3.47Å; I84-W215 HydrophobicContact CD1-CZ3 4.06Å; I84-W215 HydrophobicContact CG1-CZ3 4.12Å; I84-W215 HydrophobicContact CG2-CH2 3.75Å; I84-W215 HydrophobicContact CG2-CZ3 3.98Å; I84-L249 HydrophobicContact CD1-CD1 4.08Å; I84-L249 HydrophobicContact CG2-CD1 4.24Å; I84-L249 HydrophobicContact CG2-CD2 4.13Å; I84-P295 HydrophobicContact CD1-CG 4.2Å; I84-P295 HydrophobicContact CG1-CG 4.31Å
85	V	98.5	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.9	170.4	-59.7	0	0	0	0	110.6	I87 G95 G96 I98 L110 V144 I145 A146 F187	V85-I87 HydrophobicContact CG2-CD1 4.12Å; V85-I87 HydrophobicContact CG2-CG1 4.01Å; V85-G95 CarbonylContact O-C 3.47Å; V85-G95 WeakPolarHBondContact O-CA 3.22Å; V85-G96 VanDerWaalsContact CG2-C 3.43Å; V85-G96 VanDerWaalsContact CG2-CA 3.47Å; V85-G96 PolarHBondContact N-O 3.28Å; V85-G96 PolarHBondContact O-N 2.72Å; V85-I98 HydrophobicContact CG1-CD1 3.99Å; V85-I98 HydrophobicContact CG1-CG1 3.6Å; V85-L110 HydrophobicContact CG1-CD2 4.3Å; V85-L110 HydrophobicContact CG2-CD1 4.28Å; V85-V144 HydrophobicContact CB-CG1 4.19Å; V85-V144 HydrophobicContact CG2-CG1 4.27Å; V85-I145 CarbonylContact C-O 3.56Å; V85-I145 WeakPolarHBondContact CA-O 3.42Å; V85-I145 WeakPolarHBondContact CB-O 3.45Å; V85-A146 HydrophobicContact CG1-CB 3.93Å; V85-F187 HydrophobicContact CG1-CE2 3.96Å
86	F	97.9	Very high	94	Very high	14 Å²	14	28.2 Å²	28.2	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.7	165.6	177.5	-101.1	0	0	0	109.2	Q88 K93 V144 I145 L151 W215	F86-Q88 HydrophobicContact CD1-CB 4.32Å; F86-Q88 HydrophobicContact CE1-CB 3.44Å; F86-Q88 VanDerWaalsContact CE1-CB 3.44Å; F86-Q88 HydrophobicContact CE1-CG 4.41Å; F86-Q88 HydrophobicContact CZ-CB 3.75Å; F86-Q88 HydrophobicContact CZ-CG 4.48Å; F86-K93 HydrophobicContact CE2-CB 4.02Å; F86-K93 HydrophobicContact CE2-CD 4.32Å; F86-K93 HydrophobicContact CE2-CG 4.22Å; F86-K93 HydrophobicContact CZ-CB 4.17Å; F86-K93 HydrophobicContact CZ-CD 4.05Å; F86-K93 HydrophobicContact CZ-CG 3.9Å; F86-V144 CarbonylContact O-C 3.28Å; F86-V144 VanDerWaalsContact O-CA 3.29Å; F86-V144 WeakPolarHBondContact O-CA 3.29Å; F86-I145 HydrophobicContact CB-CB 4.33Å; F86-I145 HydrophobicContact CD1-CD1 3.93Å; F86-I145 HydrophobicContact CD1-CG1 4.5Å; F86-I145 PolarHBondContact N-O 3.17Å; F86-I145 PolarHBondContact O-N 2.95Å; F86-L151 HydrophobicContact CB-CD1 4.43Å; F86-L151 HydrophobicContact CB-CD2 3.93Å; F86-L151 HydrophobicContact CD1-CD1 4.26Å; F86-L151 HydrophobicContact CD1-CD2 4.18Å; F86-L151 HydrophobicContact CD2-CD1 3.52Å; F86-L151 HydrophobicContact CD2-CD2 4.48Å; F86-L151 HydrophobicContact CE1-CD1 4.36Å; F86-L151 HydrophobicContact CE2-CD1 3.67Å; F86-L151 HydrophobicContact CG-CD1 3.81Å; F86-L151 HydrophobicContact CG-CD2 3.95Å; F86-L151 HydrophobicContact CZ-CD1 4.08Å; F86-W215 HydrophobicContact CB-CE3 4.13Å; F86-W215 HydrophobicContact CB-CH2 4.46Å; F86-W215 HydrophobicContact CB-CZ3 3.96Å; F86-W215 HydrophobicContact CD2-CE3 4.19Å
87	I	96.5	Very high	94.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.1	179.9	-61.1	168.3	0	0	0	107.7	V85 Y89 K93 C94 T112 T143 V144 I181	V85-I87 HydrophobicContact CG2-CD1 4.12Å; V85-I87 HydrophobicContact CG2-CG1 4.01Å; I87-Y89 HydrophobicContact CG2-CD2 3.88Å; I87-Y89 HydrophobicContact CG2-CE2 3.15Å; I87-K93 WeakPolarHBondContact O-CA 3.46Å; I87-C94 HydrophobicContact CB-CB 4.44Å; I87-C94 PolarHBondContact N-O 3.1Å; I87-C94 PolarHBondContact O-N 3.37Å; I87-T112 HydrophobicContact CD1-CG2 4.28Å; I87-T143 WeakPolarHBondContact CA-O 3.25Å; I87-V144 HydrophobicContact CG1-CG1 4.35Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å; I87-I181 HydrophobicContact CD1-CD1 3.62Å; I87-I181 HydrophobicContact CG1-CD1 4.35Å; I87-I181 HydrophobicContact CG2-CD1 4.36Å
88	Q	92.4	Very high	94.3	Very high	59 Å²	59	26 Å²	26	28%	0.276	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132	175	176.7	178.1	-28.4	0	0	112.3	F86 G90 Q92 K93 G142 T143	F86-Q88 HydrophobicContact CD1-CB 4.32Å; F86-Q88 HydrophobicContact CE1-CB 3.44Å; F86-Q88 VanDerWaalsContact CE1-CB 3.44Å; F86-Q88 HydrophobicContact CE1-CG 4.41Å; F86-Q88 HydrophobicContact CZ-CB 3.75Å; F86-Q88 HydrophobicContact CZ-CG 4.48Å; Q88-G90 WeakPolarHBondContact CG-O 3.49Å; Q88-G90 PolarHBondContact NE2-O 3.28Å; Q88-G90 VanDerWaalsContact NE2-O 3.1Å; Q88-Q92 VanDerWaalsContact CA-O 3.25Å; Q88-Q92 WeakPolarHBondContact CA-O 3.13Å; Q88-K93 HydrophobicContact CB-CG 4.38Å; Q88-K93 HydrophobicContact CG-CG 4.09Å; Q88-G142 CarbonylContact O-C 3.53Å; Q88-G142 VanDerWaalsContact O-CA 3.26Å; Q88-G142 WeakPolarHBondContact O-CA 3.31Å; Q88-T143 PolarHBondContact N-O 2.95Å; Q88-T143 PolarHBondContact O-N 3.09Å
89	Y	86.4	Confident	94.4	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.024	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	110.4	171.4	-53.7	-80.4	0	0	0	108.7	I87 E91 Q92 L117 I134 D138 L139 V164	I87-Y89 HydrophobicContact CG2-CD2 3.88Å; I87-Y89 HydrophobicContact CG2-CE2 3.15Å; Y89-E91 PolarHBondContact O-N 3.07Å; Y89-E91 VanDerWaalsContact O-N 3.17Å; Y89-Q92 PolarHBondContact N-O 3.47Å; Y89-Q92 WeakPolarHBondContact O-CB 3.34Å; Y89-Q92 PolarHBondContact O-N 3.16Å; Y89-L117 HydrophobicContact CD2-CD2 4.27Å; Y89-L117 HydrophobicContact CE2-CD2 3.44Å; Y89-L117 VanDerWaalsContact CE2-CD2 3.44Å; Y89-I134 HydrophobicContact CD2-CD1 4.49Å; Y89-I134 HydrophobicContact CE1-CD1 4.43Å; Y89-I134 HydrophobicContact CE2-CD1 4.21Å; Y89-D138 WeakPolarHBondContact CD1-O 3.46Å; Y89-L139 HydrophobicContact CE1-CD2 3.72Å; Y89-V164 HydrophobicContact CE1-CG2 4.29Å; Y89-V164 WeakPolarHBondContact OH-CG2 3.29Å
90	G	83.6	Confident	94.2	Very high	54 Å²	54	21.7 Å²	21.7	56%	0.557	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	-120.9	-169.9	0	0	0	0	0	111.1	Q88	Q88-G90 WeakPolarHBondContact CG-O 3.49Å; Q88-G90 PolarHBondContact NE2-O 3.28Å; Q88-G90 VanDerWaalsContact NE2-O 3.1Å
91	E	81.3	Confident	93.9	Very high	168 Å²	168	22.6 Å²	22.6	79%	0.785	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-16	177.1	-63.3	-57.3	137.3	0	0	113.8	Y89 K93	Y89-E91 PolarHBondContact O-N 3.07Å; Y89-E91 VanDerWaalsContact O-N 3.17Å; E91-K93 PolarHBondContact O-N 3.02Å
92	Q	84.6	Confident	93.4	Very high	69 Å²	69	27.2 Å²	27.2	32%	0.322	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121	-178	-173.8	70.9	-13.2	0	0	109.6	Q88 Y89	Q88-Q92 VanDerWaalsContact CA-O 3.25Å; Q88-Q92 WeakPolarHBondContact CA-O 3.13Å; Y89-Q92 PolarHBondContact N-O 3.47Å; Y89-Q92 WeakPolarHBondContact O-CB 3.34Å; Y89-Q92 PolarHBondContact O-N 3.16Å
93	K	92	Very high	93	Very high	66 Å²	66	30.7 Å²	30.7	29%	0.287	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.4	176.3	-58.1	173.5	-176.9	173.2	0	110.3	F86 I87 Q88 E91 H290	F86-K93 HydrophobicContact CE2-CB 4.02Å; F86-K93 HydrophobicContact CE2-CD 4.32Å; F86-K93 HydrophobicContact CE2-CG 4.22Å; F86-K93 HydrophobicContact CZ-CB 4.17Å; F86-K93 HydrophobicContact CZ-CD 4.05Å; F86-K93 HydrophobicContact CZ-CG 3.9Å; I87-K93 WeakPolarHBondContact O-CA 3.46Å; Q88-K93 HydrophobicContact CB-CG 4.38Å; Q88-K93 HydrophobicContact CG-CG 4.09Å; E91-K93 PolarHBondContact O-N 3.02Å; K93-H290 HydrophobicContact CB-CB 4.16Å; K93-H290 WeakPolarHBondContact O-CA 3.43Å; K93-H290 WeakPolarHBondContact O-CB 3.12Å; K93-H290 PolarHBondContact O-ND1 3.46Å
94	C	95.6	Very high	92.6	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.8	179.2	-81.1	0	0	0	0	111.5	I87 C116 S292	I87-C94 HydrophobicContact CB-CB 4.44Å; I87-C94 PolarHBondContact N-O 3.1Å; I87-C94 PolarHBondContact O-N 3.37Å; C94-C116 HydrophobicContact CB-CB 3.66Å; C94-C116 WeakPolarHBondContact CB-SG 3.42Å; C94-C116 WeakPolarHBondContact SG-CB 3.25Å; C94-C116 CovalentContact SG-SG 2.03Å; C94-C116 PolarHBondContact SG-SG 2.95Å; C94-S292 VanDerWaalsContact CB-O 3.3Å; C94-S292 WeakPolarHBondContact CB-O 3.16Å
95	G	97	Very high	92.4	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	167.6	162.1	0	0	0	0	0	112.3	V85 T112 S292 G293	V85-G95 CarbonylContact O-C 3.47Å; V85-G95 WeakPolarHBondContact O-CA 3.22Å; G95-T112 PolarHBondContact O-OG1 3.13Å; G95-S292 PolarHBondContact N-O 2.86Å; G95-G293 CarbonylContact O-C 3.59Å; G95-G293 VanDerWaalsContact O-C 3.26Å; G95-G293 VanDerWaalsContact O-CA 3.23Å; G95-G293 WeakPolarHBondContact O-CA 3.36Å
96	G	98.2	Very high	92.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	178.7	165.4	0	0	0	0	0	110.5	I84 V85 L111 G293	I84-G96 WeakPolarHBondContact CA-O 2.96Å; V85-G96 VanDerWaalsContact CG2-C 3.43Å; V85-G96 VanDerWaalsContact CG2-CA 3.47Å; V85-G96 PolarHBondContact N-O 3.28Å; V85-G96 PolarHBondContact O-N 2.72Å; G96-L111 CarbonylContact C-O 3.53Å; G96-L111 WeakPolarHBondContact CA-O 3.4Å; G96-G293 WeakPolarHBondContact CA-O 3.2Å
97	V	98.6	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.9	-178.2	-175.5	0	0	0	0	110.3	W83 L99 L110 L111 P196 P295 L306 I309	W83-V97 HydrophobicContact CB-CG1 4.41Å; W83-V97 WeakPolarHBondContact O-CA 3.22Å; V97-L99 PolarHBondContact O-N 2.72Å; V97-L110 CarbonylContact O-C 3.53Å; V97-L110 VanDerWaalsContact O-CA 3.29Å; V97-L110 WeakPolarHBondContact O-CA 3.33Å; V97-L111 PolarHBondContact N-O 3.12Å; V97-L111 PolarHBondContact O-N 2.85Å; V97-P196 HydrophobicContact CG1-CG 3.5Å; V97-P295 HydrophobicContact CG2-CB 3.67Å; V97-P295 HydrophobicContact CG2-CG 4.21Å; V97-L306 HydrophobicContact CB-CD2 4.43Å; V97-L306 HydrophobicContact CG1-CD1 4.19Å; V97-L306 HydrophobicContact CG1-CD2 3.95Å; V97-L306 HydrophobicContact CG2-CD1 4.14Å; V97-I309 HydrophobicContact CB-CD1 4.08Å; V97-I309 HydrophobicContact CG2-CD1 3.5Å; V97-I309 VanDerWaalsContact CG2-CD1 3.5Å
98	I	98.3	Very high	92.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.6	173.7	-54	174.2	0	0	0	109.1	W83 V85 L110 A146 F187 F189 V193 P196	W83-I98 PolarHBondContact O-N 2.85Å; V85-I98 HydrophobicContact CG1-CD1 3.99Å; V85-I98 HydrophobicContact CG1-CG1 3.6Å; I98-L110 HydrophobicContact CB-CD2 4.19Å; I98-L110 HydrophobicContact CG1-CD2 3.77Å; I98-L110 HydrophobicContact CG2-CD2 4.37Å; I98-A146 HydrophobicContact CD1-CB 4.08Å; I98-F187 HydrophobicContact CD1-CD2 4.06Å; I98-F187 HydrophobicContact CG1-CD2 4.33Å; I98-F189 HydrophobicContact CG2-CE1 3.77Å; I98-F189 HydrophobicContact CG2-CZ 4.01Å; I98-V193 HydrophobicContact CD1-CG1 3.45Å; I98-V193 VanDerWaalsContact CD1-CG1 3.45Å; I98-P196 WeakPolarHBondContact O-CD 3.25Å
99	L	96.2	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-88.6	143.3	175.1	-63.8	-173.4	0	0	0	111.1	V97 S107 V109 L111 L180 L198 L306 I334 I340	V97-L99 PolarHBondContact O-N 2.72Å; L99-S107 WeakPolarHBondContact O-CB 3.02Å; L99-S107 PolarHBondContact O-OG 2.82Å; L99-V109 HydrophobicContact CB-CB 4.41Å; L99-V109 HydrophobicContact CB-CG1 4.27Å; L99-V109 HydrophobicContact CD1-CG1 3.96Å; L99-V109 HydrophobicContact CG-CG1 4.47Å; L99-V109 PolarHBondContact N-O 2.9Å; L99-L111 HydrophobicContact CD1-CB 4.09Å; L99-L111 HydrophobicContact CD1-CD1 4.38Å; L99-L111 HydrophobicContact CD2-CB 3.97Å; L99-L111 HydrophobicContact CD2-CD2 4.08Å; L99-L111 HydrophobicContact CG-CB 4.01Å; L99-L180 HydrophobicContact CD1-CD2 3.93Å; L99-L198 HydrophobicContact CD2-CD2 3.94Å; L99-L306 HydrophobicContact CD2-CD2 4.29Å; L99-I334 HydrophobicContact CD1-CG2 3.79Å; L99-I340 HydrophobicContact CB-CD1 4.12Å; L99-I340 HydrophobicContact CD1-CD1 4.34Å
100	P	93.4	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-63.7	147.9	168.1	28.1	-31.6	0	0	0	110	Y49 L198 I340	Y49-P100 HydrophobicContact CD1-CG 4.31Å; Y49-P100 HydrophobicContact CE1-CB 4.11Å; Y49-P100 HydrophobicContact CE1-CG 3.98Å; P100-L198 HydrophobicContact CG-CD1 3.75Å; P100-L198 HydrophobicContact CG-CD2 4.49Å; P100-L198 HydrophobicContact CG-CG 3.82Å; P100-I340 VanDerWaalsContact O-CD1 3.25Å; P100-I340 WeakPolarHBondContact O-CD1 3.1Å; P100-I340 WeakPolarHBondContact O-CG2 3.42Å
101	T	90.8	Very high	93.7	Very high	18 Å²	18	37.8 Å²	37.8	11%	0.11	20%	0.204	C	C	.	.			trans	-128.1	180	175.5	78.7	0	0	0	0	110.5	D103 S106 S107 V109 I340	T101-D103 PolarHBondContact O-N 3.01Å; T101-D103 PolarHBondContact OG1-N 2.79Å; T101-D103 PolarHBondContact OG1-O 2.91Å; T101-D103 VanDerWaalsContact OG1-O 3.13Å; T101-S106 PolarHBondContact OG1-O 2.89Å; T101-S107 WeakPolarHBondContact CG2-OG 3.29Å; T101-V109 HydrophobicContact CG2-CB 4.3Å; T101-V109 HydrophobicContact CG2-CG2 3.97Å; T101-I340 HydrophobicContact CG2-CD1 4.36Å
102	A	85.6	Confident	94.5	Very high	103 Å²	103	29.8 Å²	29.8	85%	0.851	17%	0.167	S	C	*	.	S	Bend	trans	-61.3	-29.1	173	0	0	0	0	0	112.3	K104	A102-K104 PolarHBondContact O-N 2.7Å
103	D	89.6	Confident	95	Very high	75 Å²	75	26.5 Å²	26.5	40%	0.401	15%	0.151	S	C	.	.	S	Bend	trans	-78.4	111.8	165.7	-176.5	-1.5	0	0	0	108.9	T101 N105 S106	T101-D103 PolarHBondContact O-N 3.01Å; T101-D103 PolarHBondContact OG1-N 2.79Å; T101-D103 PolarHBondContact OG1-O 2.91Å; T101-D103 VanDerWaalsContact OG1-O 3.13Å; D103-N105 PolarHBondContact O-N 2.97Å; D103-N105 PolarHBondContact OD1-N 3.34Å; D103-S106 PolarHBondContact OD2-OG 2.07Å
104	K	89.5	Confident	95.1	Very high	103 Å²	103	23.4 Å²	23.4	45%	0.448	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.9	-178.2	-61.3	-172.3	177.1	-164.9	0	113.4	D51 V53 A102 F189	D51-K104 HydrophobicContact CB-CD 4.5Å; D51-K104 WeakPolarHBondContact O-CE 3.44Å; D51-K104 PolarHBondContact O-NZ 2.87Å; V53-K104 HydrophobicContact CG2-CB 4.48Å; A102-K104 PolarHBondContact O-N 2.7Å; K104-F189 VanDerWaalsContact O-CD2 3.28Å; K104-F189 WeakPolarHBondContact O-CD2 3.34Å
105	N	94.7	Very high	94.9	Very high	114 Å²	114	25.8 Å²	25.8	61%	0.61	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-5.4	-175.9	-64	-34.3	0	0	0	112.5	D103 F189	D103-N105 PolarHBondContact O-N 2.97Å; D103-N105 PolarHBondContact OD1-N 3.34Å; N105-F189 WeakPolarHBondContact O-CB 3.47Å; N105-F189 PolarHBondContact O-N 3.34Å
106	S	96.7	Very high	94.6	Very high	15 Å²	15	25.7 Å²	25.7	11%	0.105	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.7	179.7	87.4	0	0	0	0	112.5	T101 D103 S186 F187	T101-S106 PolarHBondContact OG1-O 2.89Å; D103-S106 PolarHBondContact OD2-OG 2.07Å; S106-S186 VanDerWaalsContact OG-CB 3.29Å; S106-S186 WeakPolarHBondContact OG-CB 3.41Å; S106-S186 PolarHBondContact OG-OG 3.21Å; S106-F187 CarbonylContact C-O 3.6Å; S106-F187 WeakPolarHBondContact CA-O 3.31Å; S106-F187 VanDerWaalsContact CB-O 3.25Å; S106-F187 WeakPolarHBondContact CB-O 3.42Å
107	S	96.9	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.8	170.6	176.9	0	0	0	0	111.7	L99 T101 V109 S186 F187	L99-S107 WeakPolarHBondContact O-CB 3.02Å; L99-S107 PolarHBondContact O-OG 2.82Å; T101-S107 WeakPolarHBondContact CG2-OG 3.29Å; S107-V109 PolarHBondContact OG-N 3.49Å; S107-V109 VanDerWaalsContact OG-N 3.12Å; S107-V109 PolarHBondContact OG-O 3.32Å; S107-S186 WeakPolarHBondContact O-CA 3.39Å; S107-F187 PolarHBondContact N-O 2.8Å; S107-F187 PolarHBondContact O-N 3.19Å
108	N	96.8	Very high	93.4	Very high	48 Å²	48	28.2 Å²	28.2	26%	0.257	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	6.5	169.4	68.6	-24.3	0	0	0	112.4	I182 L183	N108-I182 WeakPolarHBondContact O-CA 3.19Å; N108-L183 HydrophobicContact CB-CB 4.09Å; N108-L183 PolarHBondContact O-N 3.43Å
109	V	97.4	Very high	92	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.5	-174.1	-173.7	0	0	0	0	109.6	L99 T101 S107 L180 I182 T338 I340	L99-V109 HydrophobicContact CB-CB 4.41Å; L99-V109 HydrophobicContact CB-CG1 4.27Å; L99-V109 HydrophobicContact CD1-CG1 3.96Å; L99-V109 HydrophobicContact CG-CG1 4.47Å; L99-V109 PolarHBondContact N-O 2.9Å; T101-V109 HydrophobicContact CG2-CB 4.3Å; T101-V109 HydrophobicContact CG2-CG2 3.97Å; S107-V109 PolarHBondContact OG-N 3.49Å; S107-V109 VanDerWaalsContact OG-N 3.12Å; S107-V109 PolarHBondContact OG-O 3.32Å; V109-L180 HydrophobicContact CG1-CD2 3.9Å; V109-I182 HydrophobicContact CG1-CD1 4.15Å; V109-I182 HydrophobicContact CG2-CD1 4.16Å; V109-T338 HydrophobicContact CG1-CG2 3.61Å; V109-T338 HydrophobicContact CG2-CG2 4.4Å; V109-I340 HydrophobicContact CB-CD1 4.41Å; V109-I340 HydrophobicContact CG1-CD1 4.15Å; V109-I340 HydrophobicContact CG2-CD1 4.5Å
110	L	98	Very high	90.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.2	178.7	-43.5	172.6	0	0	0	110.2	V85 V97 I98 V144 L180 I181 L183 F187	V85-L110 HydrophobicContact CG1-CD2 4.3Å; V85-L110 HydrophobicContact CG2-CD1 4.28Å; V97-L110 CarbonylContact O-C 3.53Å; V97-L110 VanDerWaalsContact O-CA 3.29Å; V97-L110 WeakPolarHBondContact O-CA 3.33Å; I98-L110 HydrophobicContact CB-CD2 4.19Å; I98-L110 HydrophobicContact CG1-CD2 3.77Å; I98-L110 HydrophobicContact CG2-CD2 4.37Å; L110-V144 HydrophobicContact CD1-CG1 3.5Å; L110-V144 VanDerWaalsContact CD1-CG1 3.5Å; L110-L180 CarbonylContact O-C 3.47Å; L110-L180 VanDerWaalsContact O-CA 3.27Å; L110-L180 WeakPolarHBondContact O-CA 3.41Å; L110-I181 HydrophobicContact CB-CB 4.19Å; L110-I181 HydrophobicContact CD1-CB 4.37Å; L110-I181 HydrophobicContact CD1-CG2 4.31Å; L110-I181 PolarHBondContact N-O 2.65Å; L110-I181 PolarHBondContact O-N 2.93Å; L110-L183 HydrophobicContact CD1-CD1 4.05Å; L110-L183 HydrophobicContact CD1-CD2 3.91Å; L110-L183 HydrophobicContact CD1-CG 4Å; L110-L183 HydrophobicContact CG-CD1 4.43Å; L110-L183 HydrophobicContact CG-CG 4.38Å; L110-F187 HydrophobicContact CD1-CE2 4.3Å; L110-F187 HydrophobicContact CD2-CD2 4.13Å; L110-F187 HydrophobicContact CD2-CE2 4.06Å
111	L	97.6	Very high	88.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.2	175.1	-161.5	66.5	0	0	0	110	G96 V97 L99 I178 L180 L306 I309 I327 I334	G96-L111 CarbonylContact C-O 3.53Å; G96-L111 WeakPolarHBondContact CA-O 3.4Å; V97-L111 PolarHBondContact N-O 3.12Å; V97-L111 PolarHBondContact O-N 2.85Å; L99-L111 HydrophobicContact CD1-CB 4.09Å; L99-L111 HydrophobicContact CD1-CD1 4.38Å; L99-L111 HydrophobicContact CD2-CB 3.97Å; L99-L111 HydrophobicContact CD2-CD2 4.08Å; L99-L111 HydrophobicContact CG-CB 4.01Å; L111-I178 HydrophobicContact CD1-CD1 3.83Å; L111-I178 HydrophobicContact CD1-CG1 3.74Å; L111-I178 HydrophobicContact CD2-CD1 4.12Å; L111-I178 HydrophobicContact CG-CD1 4.18Å; L111-I178 HydrophobicContact CG-CG1 4.16Å; L111-L180 HydrophobicContact CD1-CD2 3.65Å; L111-L180 HydrophobicContact CD1-CG 4.35Å; L111-L306 HydrophobicContact CD2-CD2 4.25Å; L111-I309 HydrophobicContact CB-CD1 4.25Å; L111-I309 HydrophobicContact CD2-CD1 4.12Å; L111-I309 HydrophobicContact CD2-CG1 3.74Å; L111-I309 HydrophobicContact CG-CD1 4.13Å; L111-I309 HydrophobicContact CG-CG1 3.99Å; L111-I327 HydrophobicContact CD2-CD1 3.45Å; L111-I327 VanDerWaalsContact CD2-CD1 3.45Å; L111-I327 HydrophobicContact CD2-CG1 4.44Å; L111-I334 HydrophobicContact CD1-CD1 4.09Å; L111-I334 HydrophobicContact CD1-CG1 4.26Å; L111-I334 HydrophobicContact CD2-CD1 4.15Å
112	T	97.3	Very high	86.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-177.9	176.7	-170.8	0	0	0	0	110.4	I87 G95 L117 A179 I181 G293	I87-T112 HydrophobicContact CD1-CG2 4.28Å; G95-T112 PolarHBondContact O-OG1 3.13Å; T112-L117 HydrophobicContact CG2-CD1 3.79Å; T112-L117 HydrophobicContact CG2-CG 4.2Å; T112-A179 HydrophobicContact CG2-CB 4.34Å; T112-A179 PolarHBondContact N-O 3.19Å; T112-A179 PolarHBondContact O-N 3.33Å; T112-I181 HydrophobicContact CG2-CD1 3.94Å; T112-I181 HydrophobicContact CG2-CG1 4.16Å; T112-G293 WeakPolarHBondContact OG1-CA 3.48Å
113	A	95.6	Very high	85.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.			trans	-80.1	142.7	173.8	0	0	0	0	0	110.9	H115 C116 D177 I309	A113-H115 VanDerWaalsContact C-N 3.29Å; A113-H115 PolarHBondContact O-N 2.64Å; A113-C116 VanDerWaalsContact O-CB 3.29Å; A113-C116 WeakPolarHBondContact O-CB 3.38Å; A113-C116 PolarHBondContact O-N 3Å; A113-C116 VanDerWaalsContact O-N 3.11Å; A113-D177 WeakPolarHBondContact CA-O 3.31Å; A113-I309 HydrophobicContact CB-CG2 4.48Å
114	A	93.6	Very high	83.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63.6	-34.8	-179.5	0	0	0	0	0	112.6	C116 L117 K118 L169 D177 A179	A114-C116 PolarHBondContact O-N 2.98Å; A114-L117 PolarHBondContact O-N 2.8Å; A114-K118 WeakPolarHBondContact O-CG 3.26Å; A114-L169 HydrophobicContact CB-CD2 3.92Å; A114-D177 WeakPolarHBondContact CA-OD1 3.22Å; A114-D177 WeakPolarHBondContact CB-OD1 3.4Å; A114-D177 PolarHBondContact N-O 2.61Å; A114-D177 PolarHBondContact N-OD1 3.01Å; A114-A179 HydrophobicContact CB-CB 4.3Å
115	H	90.6	Very high	81.7	Confident	55 Å²	55	43.4 Å²	43.4	26%	0.255	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-69.1	-14.4	177.5	76.5	-98.5	0	0	0	113.8	A113 L117 D177 S292 K311	A113-H115 VanDerWaalsContact C-N 3.29Å; A113-H115 PolarHBondContact O-N 2.64Å; H115-L117 PolarHBondContact O-N 3.48Å; H115-D177 IonicContact CE1-OD2 3.26Å; H115-D177 IonicContact CG-OD1 2.62Å; H115-D177 IonicContact CG-OD2 3.72Å; H115-D177 PolarHBondContact N-OD1 3.23Å; H115-D177 IonicContact ND1-OD1 3.68Å; H115-D177 PolarHBondContact ND1-OD1 2.9Å; H115-D177 IonicContact ND1-OD2 3.81Å; H115-D177 PolarHBondContact ND1-OD2 3.37Å; H115-S292 VanDerWaalsContact CE1-CB 3.44Å; H115-S292 WeakPolarHBondContact CE1-CB 3.49Å; H115-S292 PolarHBondContact CE1-OG 3.26Å; H115-S292 WeakPolarHBondContact NE2-CB 3.43Å; H115-S292 PolarHBondContact NE2-OG 3.44Å; H115-K311 PolarHBondContact CE1-O 3.47Å; H115-K311 VanDerWaalsContact CE1-O 3.26Å
116	C	91.7	Very high	80	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.2	-19.9	169.9	-68.5	0	0	0	0	112.3	C94 A113 A114	C94-C116 HydrophobicContact CB-CB 3.66Å; C94-C116 WeakPolarHBondContact CB-SG 3.42Å; C94-C116 WeakPolarHBondContact SG-CB 3.25Å; C94-C116 CovalentContact SG-SG 2.03Å; C94-C116 PolarHBondContact SG-SG 2.95Å; A113-C116 VanDerWaalsContact O-CB 3.29Å; A113-C116 WeakPolarHBondContact O-CB 3.38Å; A113-C116 PolarHBondContact O-N 3Å; A113-C116 VanDerWaalsContact O-N 3.11Å; A114-C116 PolarHBondContact O-N 2.98Å
117	L	89.3	Confident	78.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-118.3	19.6	-173	-48.5	176.6	0	0	0	111.9	Y89 T112 A114 H115 I134 V167 A179 I181	Y89-L117 HydrophobicContact CD2-CD2 4.27Å; Y89-L117 HydrophobicContact CE2-CD2 3.44Å; Y89-L117 VanDerWaalsContact CE2-CD2 3.44Å; T112-L117 HydrophobicContact CG2-CD1 3.79Å; T112-L117 HydrophobicContact CG2-CG 4.2Å; A114-L117 PolarHBondContact O-N 2.8Å; H115-L117 PolarHBondContact O-N 3.48Å; L117-I134 HydrophobicContact CB-CD1 3.76Å; L117-I134 HydrophobicContact CB-CG1 4.19Å; L117-I134 HydrophobicContact CD2-CD1 3.63Å; L117-I134 HydrophobicContact CG-CD1 4.23Å; L117-I134 PolarHBondContact O-N 2.9Å; L117-V167 HydrophobicContact CB-CG1 4.09Å; L117-V167 HydrophobicContact CD1-CB 4.26Å; L117-V167 HydrophobicContact CD1-CG1 3.31Å; L117-V167 HydrophobicContact CD1-CG2 3.95Å; L117-V167 HydrophobicContact CG-CG1 4.27Å; L117-A179 HydrophobicContact CD1-CB 3.66Å; L117-I181 HydrophobicContact CD1-CD1 4.24Å; L117-I181 HydrophobicContact CD1-CG1 3.82Å; L117-I181 HydrophobicContact CD2-CD1 4.04Å; L117-I181 HydrophobicContact CD2-CG1 4.41Å
118	K	81.2	Confident	76.8	Confident	52 Å²	52	56.8 Å²	56.8	23%	0.226	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.6	177.4	-70.3	170.2	179.6	178.1	0	109.5	A114 V131 T132 L133 L169	A114-K118 WeakPolarHBondContact O-CG 3.26Å; K118-V131 HydrophobicContact CB-CG1 3.91Å; K118-V131 HydrophobicContact CD-CG1 3.82Å; K118-V131 HydrophobicContact CG-CG1 4.05Å; K118-T132 CarbonylContact C-O 3.46Å; K118-T132 VanDerWaalsContact CA-O 3.27Å; K118-T132 WeakPolarHBondContact CA-O 3.47Å; K118-L133 HydrophobicContact CG-CD2 4.26Å; K118-L169 HydrophobicContact CD-CD1 4.43Å; K118-L169 HydrophobicContact CG-CD1 4.42Å
119	H	69.3	Low	75	Confident	66 Å²	66	57.1 Å²	57.1	31%	0.306	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.3	164.9	-75.4	-77.1	0	0	0	109.9	V131 T132 D138	H119-V131 CarbonylContact O-C 3.53Å; H119-V131 WeakPolarHBondContact O-CA 3.39Å; H119-T132 WeakPolarHBondContact CB-OG1 3.34Å; H119-T132 PolarHBondContact N-O 3.31Å; H119-T132 PolarHBondContact O-N 3.12Å; H119-D138 IonicContact NE2-OD2 3.74Å
120	L	60.8	Low	73.5	Confident	104 Å²	104	61.4 Å²	61.4	55%	0.545	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	98.9	168.8	-170.8	72.8	0	0	0	108.3	T122 P129 V131	L120-T122 VanDerWaalsContact C-N 3.33Å; L120-T122 HydrophobicContact CD2-CG2 3.59Å; L120-T122 HydrophobicContact CG-CG2 3.72Å; L120-T122 PolarHBondContact O-N 2.81Å; L120-P129 HydrophobicContact CD1-CB 3.69Å; L120-P129 HydrophobicContact CD1-CG 4.07Å; L120-P129 HydrophobicContact CG-CB 4.07Å; L120-V131 HydrophobicContact CD1-CG2 3.59Å
121	L	57.7	Low	72	Confident	69 Å²	69	65.2 Å²	65.2	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	83.6	174	-63.8	171.1	0	0	0	108.9	V124 L130 T132	L121-V124 HydrophobicContact CB-CG2 4.39Å; L121-L130 HydrophobicContact CB-CB 4.27Å; L121-L130 WeakPolarHBondContact CB-O 3.27Å; L121-L130 HydrophobicContact CD1-CD2 4.25Å; L121-L130 PolarHBondContact N-O 3.19Å; L121-L130 PolarHBondContact O-N 2.9Å; L121-L130 VanDerWaalsContact O-N 3.14Å; L121-T132 HydrophobicContact CD1-CG2 3.74Å
122	T	52.4	Low	70.9	Confident	74 Å²	74	67.4 Å²	67.4	45%	0.454	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-27.9	173.8	55.2	0	0	0	0	112.4	L120 V124 M125 P129	L120-T122 VanDerWaalsContact C-N 3.33Å; L120-T122 HydrophobicContact CD2-CG2 3.59Å; L120-T122 HydrophobicContact CG-CG2 3.72Å; L120-T122 PolarHBondContact O-N 2.81Å; T122-V124 PolarHBondContact O-N 2.9Å; T122-M125 CarbonylContact O-C 3.37Å; T122-M125 PolarHBondContact O-N 2.9Å; T122-P129 HydrophobicContact CG2-CB 4.08Å
123	A	53.2	Low	69.8	Low	99 Å²	99	71.9 Å²	71.9	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	-174.9	0	0	0	0	0	113.7
124	V	54.6	Low	69	Low	99 Å²	99	72.7 Å²	72.7	60%	0.6	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-39.7	-179.2	-174.5	0	0	0	0	111.2	L121 T122	L121-V124 HydrophobicContact CB-CG2 4.39Å; T122-V124 PolarHBondContact O-N 2.9Å
125	M	51.2	Low	68.3	Low	107 Å²	107	75.9 Å²	75.9	53%	0.527	43%	0.428	S	S	.	.			trans	-154.2	98.9	-176.6	-75.5	-68.3	-172.8	0	0	109.9	T122 T127 K128 P129	T122-M125 CarbonylContact O-C 3.37Å; T122-M125 PolarHBondContact O-N 2.9Å; M125-T127 PolarHBondContact O-N 2.87Å; M125-T127 VanDerWaalsContact O-N 3.15Å; M125-K128 HydrophobicContact CB-CB 4.3Å; M125-K128 VanDerWaalsContact CB-O 3.31Å; M125-K128 WeakPolarHBondContact CB-O 3.42Å; M125-K128 CarbonylContact O-C 3.15Å; M125-K128 PolarHBondContact O-N 2.83Å; M125-K128 VanDerWaalsContact O-N 3.13Å; M125-P129 WeakPolarHBondContact O-CA 3.41Å; M125-P129 VanDerWaalsContact O-N 3.14Å
126	P	58.7	Low	67.7	Low	116 Å²	116	81.9 Å²	81.9	75%	0.753	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.6	179.7	-24	32.5	0	0	0	113.2
127	T	64.9	Low	67.1	Low	126 Å²	126	88.4 Å²	88.4	77%	0.773	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-19.7	-178.2	57.6	0	0	0	0	113.6	M125	M125-T127 PolarHBondContact O-N 2.87Å; M125-T127 VanDerWaalsContact O-N 3.15Å
128	K	61.1	Low	66.7	Low	169 Å²	169	90.8 Å²	90.8	74%	0.735	50%	0.496	S	S	*	.	S	Bend	trans	-142.2	71.4	178.2	-72.7	-171.1	-179.9	-179.3	0	109.1	M125 L130	M125-K128 HydrophobicContact CB-CB 4.3Å; M125-K128 VanDerWaalsContact CB-O 3.31Å; M125-K128 WeakPolarHBondContact CB-O 3.42Å; M125-K128 CarbonylContact O-C 3.15Å; M125-K128 PolarHBondContact O-N 2.83Å; M125-K128 VanDerWaalsContact O-N 3.13Å; K128-L130 PolarHBondContact O-N 2.92Å
129	P	58.8	Low	66.5	Low	55 Å²	55	89.3 Å²	89.3	36%	0.357	49%	0.491	S	S	.	.			trans	-59.8	130	-177.4	26.1	-34.7	0	0	0	109.6	L120 T122 M125 V131	L120-P129 HydrophobicContact CD1-CB 3.69Å; L120-P129 HydrophobicContact CD1-CG 4.07Å; L120-P129 HydrophobicContact CG-CB 4.07Å; T122-P129 HydrophobicContact CG2-CB 4.08Å; M125-P129 WeakPolarHBondContact O-CA 3.41Å; M125-P129 VanDerWaalsContact O-N 3.14Å; P129-V131 PolarHBondContact O-N 2.8Å
130	L	66.8	Low	67	Low	96 Å²	96	93.7 Å²	93.7	50%	0.503	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.1	178.3	-179.8	67.2	0	0	0	108.1	L121 K128 T132	L121-L130 HydrophobicContact CB-CB 4.27Å; L121-L130 WeakPolarHBondContact CB-O 3.27Å; L121-L130 HydrophobicContact CD1-CD2 4.25Å; L121-L130 PolarHBondContact N-O 3.19Å; L121-L130 PolarHBondContact O-N 2.9Å; L121-L130 VanDerWaalsContact O-N 3.14Å; K128-L130 PolarHBondContact O-N 2.92Å; L130-T132 HydrophobicContact CD2-CG2 3.87Å; L130-T132 HydrophobicContact CG-CG2 3.93Å
131	V	66.7	Low	68	Low	80 Å²	80	94.7 Å²	94.7	49%	0.485	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	110.3	172.9	-178.6	0	0	0	0	107.9	K118 H119 L120 P129	K118-V131 HydrophobicContact CB-CG1 3.91Å; K118-V131 HydrophobicContact CD-CG1 3.82Å; K118-V131 HydrophobicContact CG-CG1 4.05Å; H119-V131 CarbonylContact O-C 3.53Å; H119-V131 WeakPolarHBondContact O-CA 3.39Å; L120-V131 HydrophobicContact CD1-CG2 3.59Å; P129-V131 PolarHBondContact O-N 2.8Å
132	T	73.2	Confident	69.2	Low	46 Å²	46	91.9 Å²	91.9	28%	0.282	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	152.6	172.7	53.2	0	0	0	0	110.4	K118 H119 L121 L130	K118-T132 CarbonylContact C-O 3.46Å; K118-T132 VanDerWaalsContact CA-O 3.27Å; K118-T132 WeakPolarHBondContact CA-O 3.47Å; H119-T132 WeakPolarHBondContact CB-OG1 3.34Å; H119-T132 PolarHBondContact N-O 3.31Å; H119-T132 PolarHBondContact O-N 3.12Å; L121-T132 HydrophobicContact CD1-CG2 3.74Å; L130-T132 HydrophobicContact CD2-CG2 3.87Å; L130-T132 HydrophobicContact CG-CG2 3.93Å
133	L	74.1	Confident	71	Confident	95 Å²	95	91.3 Å²	91.3	50%	0.497	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	153.5	167.6	-81.2	171.9	0	0	0	110.1	K118 T135 L169	K118-L133 HydrophobicContact CG-CD2 4.26Å; L133-T135 PolarHBondContact O-N 2.81Å; L133-L169 HydrophobicContact CD2-CD1 3.34Å; L133-L169 HydrophobicContact CD2-CD2 4.29Å; L133-L169 HydrophobicContact CD2-CG 3.85Å; L133-L169 HydrophobicContact CG-CD1 4.36Å
134	I	78.9	Confident	73.1	Confident	16 Å²	16	86.6 Å²	86.6	8%	0.082	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-54.2	135.2	164.9	57.4	-178.2	0	0	0	109.9	Y89 L117 D138 L139 V167	Y89-I134 HydrophobicContact CD2-CD1 4.49Å; Y89-I134 HydrophobicContact CE1-CD1 4.43Å; Y89-I134 HydrophobicContact CE2-CD1 4.21Å; L117-I134 HydrophobicContact CB-CD1 3.76Å; L117-I134 HydrophobicContact CB-CG1 4.19Å; L117-I134 HydrophobicContact CD2-CD1 3.63Å; L117-I134 HydrophobicContact CG-CD1 4.23Å; L117-I134 PolarHBondContact O-N 2.9Å; I134-D138 HydrophobicContact CB-CB 4.19Å; I134-L139 HydrophobicContact CD1-CD2 3.3Å; I134-L139 HydrophobicContact CD1-CG 3.86Å; I134-L139 HydrophobicContact CG1-CD2 4.04Å; I134-L139 HydrophobicContact CG1-CG 4.06Å; I134-V167 HydrophobicContact CD1-CG2 4.16Å
135	T	80.2	Confident	75.1	Confident	68 Å²	68	82.3 Å²	82.3	42%	0.417	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-77.5	166.4	-177.4	70	0	0	0	0	110.7	L133 E137 D138 L139	L133-T135 PolarHBondContact O-N 2.81Å; T135-E137 PolarHBondContact O-N 2.87Å; T135-E137 PolarHBondContact OG1-N 2.87Å; T135-D138 VanDerWaalsContact CB-OD2 3.3Å; T135-D138 WeakPolarHBondContact CB-OD2 3.26Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.48Å; T135-D138 PolarHBondContact N-OD2 3.25Å; T135-D138 PolarHBondContact O-N 2.79Å; T135-D138 PolarHBondContact OG1-N 2.99Å; T135-D138 PolarHBondContact OG1-OD2 3.32Å; T135-L139 WeakPolarHBondContact O-CB 3.19Å; T135-L139 WeakPolarHBondContact O-CG 3.16Å; T135-L139 PolarHBondContact O-N 3.41Å
136	K	76.2	Confident	77.4	Confident	180 Å²	180	77.2 Å²	77.2	78%	0.783	41%	0.409	S	S	*	.	H	α-helix	trans	-59.5	-27.6	170.2	-75.3	-174.7	177	179.3	0	112.4	K140	K136-K140 WeakPolarHBondContact O-CG 3.46Å; K136-K140 PolarHBondContact O-N 2.8Å; K136-K140 VanDerWaalsContact O-N 3.16Å
137	E	79.4	Confident	79.3	Confident	140 Å²	140	72 Å²	72	65%	0.654	38%	0.376	S	S	*	.	H	α-helix	trans	-75.2	-45.8	178	-173.3	169.7	-173.6	0	0	111.1	T135 L139 K140 N141	T135-E137 PolarHBondContact O-N 2.87Å; T135-E137 PolarHBondContact OG1-N 2.87Å; E137-L139 PolarHBondContact O-N 2.81Å; E137-K140 WeakPolarHBondContact O-CB 3.38Å; E137-K140 PolarHBondContact O-N 2.8Å; E137-N141 PolarHBondContact O-N 3.06Å; E137-N141 VanDerWaalsContact O-N 3.09Å
138	D	80.7	Confident	80.8	Confident	50 Å²	50	66.3 Å²	66.3	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-56.3	-42.7	173	-58.8	-49.7	0	0	0	110.7	Y89 H119 I134 T135 K140 N141 G142	Y89-D138 WeakPolarHBondContact CD1-O 3.46Å; H119-D138 IonicContact NE2-OD2 3.74Å; I134-D138 HydrophobicContact CB-CB 4.19Å; T135-D138 VanDerWaalsContact CB-OD2 3.3Å; T135-D138 WeakPolarHBondContact CB-OD2 3.26Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.48Å; T135-D138 PolarHBondContact N-OD2 3.25Å; T135-D138 PolarHBondContact O-N 2.79Å; T135-D138 PolarHBondContact OG1-N 2.99Å; T135-D138 PolarHBondContact OG1-OD2 3.32Å; D138-K140 PolarHBondContact O-N 3.1Å; D138-N141 CarbonylContact O-C 3.47Å; D138-N141 PolarHBondContact O-N 2.86Å; D138-G142 PolarHBondContact O-N 3.37Å
139	L	78.5	Confident	82.6	Confident	20 Å²	20	58.6 Å²	58.6	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-38.4	177	-77.3	177.5	0	0	0	113.5	Y89 I134 T135 E137 N141 G142 V164 V167	Y89-L139 HydrophobicContact CE1-CD2 3.72Å; I134-L139 HydrophobicContact CD1-CD2 3.3Å; I134-L139 HydrophobicContact CD1-CG 3.86Å; I134-L139 HydrophobicContact CG1-CD2 4.04Å; I134-L139 HydrophobicContact CG1-CG 4.06Å; T135-L139 WeakPolarHBondContact O-CB 3.19Å; T135-L139 WeakPolarHBondContact O-CG 3.16Å; T135-L139 PolarHBondContact O-N 3.41Å; E137-L139 PolarHBondContact O-N 2.81Å; L139-N141 VanDerWaalsContact C-N 3.32Å; L139-G142 PolarHBondContact O-N 2.96Å; L139-V164 HydrophobicContact CD1-CG1 4.5Å; L139-V164 HydrophobicContact CD2-CB 3.98Å; L139-V164 HydrophobicContact CD2-CG1 3.58Å; L139-V164 HydrophobicContact CD2-CG2 4.31Å; L139-V167 HydrophobicContact CD1-CG2 4.37Å; L139-V167 HydrophobicContact CD2-CG2 3.84Å
140	K	78.3	Confident	84.4	Confident	158 Å²	158	56.7 Å²	56.7	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-67.6	-34.4	177.1	-80.9	177	178.1	-174.8	0	112.3	K136 E137 D138 G142	K136-K140 WeakPolarHBondContact O-CG 3.46Å; K136-K140 PolarHBondContact O-N 2.8Å; K136-K140 VanDerWaalsContact O-N 3.16Å; E137-K140 WeakPolarHBondContact O-CB 3.38Å; E137-K140 PolarHBondContact O-N 2.8Å; D138-K140 PolarHBondContact O-N 3.1Å; K140-G142 VanDerWaalsContact C-N 3.3Å
141	N	81.6	Confident	85.8	Confident	125 Å²	125	53.8 Å²	53.8	67%	0.668	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	0.6	177.4	-65.7	-11.9	0	0	0	112.6	E137 D138 L139	E137-N141 PolarHBondContact O-N 3.06Å; E137-N141 VanDerWaalsContact O-N 3.09Å; D138-N141 CarbonylContact O-C 3.47Å; D138-N141 PolarHBondContact O-N 2.86Å; L139-N141 VanDerWaalsContact C-N 3.32Å
142	G	84.3	Confident	87.2	Confident	11 Å²	11	52.7 Å²	52.7	11%	0.113	29%	0.285	C	S	.	.			trans	-74.7	144.7	177.7	0	0	0	0	0	112.6	Q88 D138 L139 K140	Q88-G142 CarbonylContact O-C 3.53Å; Q88-G142 VanDerWaalsContact O-CA 3.26Å; Q88-G142 WeakPolarHBondContact O-CA 3.31Å; D138-G142 PolarHBondContact O-N 3.37Å; L139-G142 PolarHBondContact O-N 2.96Å; K140-G142 VanDerWaalsContact C-N 3.3Å
143	T	89.5	Confident	88.3	Confident	61 Å²	61	56.6 Å²	56.6	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.2	172	55.9	0	0	0	0	109.7	I87 Q88	I87-T143 WeakPolarHBondContact CA-O 3.25Å; Q88-T143 PolarHBondContact N-O 2.95Å; Q88-T143 PolarHBondContact O-N 3.09Å
144	V	97	Very high	89.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	168.2	-175.8	0	0	0	0	107.5	V85 F86 I87 L110 N161 G162 V164 L183 F187	V85-V144 HydrophobicContact CB-CG1 4.19Å; V85-V144 HydrophobicContact CG2-CG1 4.27Å; F86-V144 CarbonylContact O-C 3.28Å; F86-V144 VanDerWaalsContact O-CA 3.29Å; F86-V144 WeakPolarHBondContact O-CA 3.29Å; I87-V144 HydrophobicContact CG1-CG1 4.35Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å; L110-V144 HydrophobicContact CD1-CG1 3.5Å; L110-V144 VanDerWaalsContact CD1-CG1 3.5Å; V144-N161 CarbonylContact O-C 3.49Å; V144-N161 WeakPolarHBondContact O-CA 3.47Å; V144-G162 PolarHBondContact N-O 2.78Å; V144-G162 PolarHBondContact O-N 3.04Å; V144-V164 HydrophobicContact CG2-CG2 3.76Å; V144-L183 HydrophobicContact CB-CD2 4.32Å; V144-L183 HydrophobicContact CG1-CD2 4.43Å; V144-L183 HydrophobicContact CG2-CD2 4.28Å; V144-F187 HydrophobicContact CG1-CE2 4.2Å; V144-F187 HydrophobicContact CG1-CZ 4.06Å
145	I	98	Very high	90	Very high	9 Å²	9	63.4 Å²	63.4	5%	0.046	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.9	-173.8	-53.2	167.5	0	0	0	109.2	V85 F86 A148 L151 R159 Q160	V85-I145 CarbonylContact C-O 3.56Å; V85-I145 WeakPolarHBondContact CA-O 3.42Å; V85-I145 WeakPolarHBondContact CB-O 3.45Å; F86-I145 HydrophobicContact CB-CB 4.33Å; F86-I145 HydrophobicContact CD1-CD1 3.93Å; F86-I145 HydrophobicContact CD1-CG1 4.5Å; F86-I145 PolarHBondContact N-O 3.17Å; F86-I145 PolarHBondContact O-N 2.95Å; I145-A148 HydrophobicContact CG2-CB 3.78Å; I145-L151 HydrophobicContact CD1-CD2 4.27Å; I145-R159 VanDerWaalsContact CD1-NH2 3.31Å; I145-R159 HydrophobicContact CG2-CG 3.89Å; I145-Q160 WeakPolarHBondContact CA-O 3.35Å
146	A	98.5	Very high	90.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	157.1	170	0	0	0	0	0	110.7	V85 I98 A148 R159 Q160 F187 V193	V85-A146 HydrophobicContact CG1-CB 3.93Å; I98-A146 HydrophobicContact CD1-CB 4.08Å; A146-A148 PolarHBondContact O-N 3.06Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A146-R159 WeakPolarHBondContact O-CA 2.88Å; A146-Q160 PolarHBondContact N-O 3.3Å; A146-Q160 PolarHBondContact O-N 3.01Å; A146-F187 HydrophobicContact CB-CD1 3.99Å; A146-F187 HydrophobicContact CB-CD2 3.79Å; A146-F187 HydrophobicContact CB-CE1 3.83Å; A146-F187 HydrophobicContact CB-CE2 3.62Å; A146-F187 HydrophobicContact CB-CG 3.98Å; A146-F187 HydrophobicContact CB-CZ 3.64Å; A146-V193 HydrophobicContact CB-CG1 3.97Å; A146-V193 HydrophobicContact CB-CG2 3.95Å
147	G	98.1	Very high	91.7	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	31%	0.314	C	S	.	.	S	Bend	trans	73.7	0.3	172.9	0	0	0	0	0	116	H79 Y192	H79-G147 PolarHBondContact ND1-O 2.86Å; G147-Y192 WeakPolarHBondContact CA-O 3.17Å
148	A	97.8	Very high	92.4	Very high	7 Å²	7	53.5 Å²	53.5	6%	0.058	28%	0.283	C	S	.	.			trans	-78.1	146.4	175.3	0	0	0	0	0	111.9	I145 A146 L151 E156 W215	I145-A148 HydrophobicContact CG2-CB 3.78Å; A146-A148 PolarHBondContact O-N 3.06Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A148-L151 HydrophobicContact CB-CD2 4.13Å; A148-E156 WeakPolarHBondContact CA-OE2 3.41Å; A148-E156 WeakPolarHBondContact CB-OE2 3.32Å; A148-W215 WeakPolarHBondContact O-CZ2 2.98Å
149	H	97.7	Very high	93.2	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.032	28%	0.279	C	S	.	.	S	Bend	trans	-110.4	-52	164.5	175.5	67.8	0	0	0	110.1	E75 A76 P78 E156 W215 R248 L249	E75-H149 IonicContact OE1-CE1 2.72Å; E75-H149 IonicContact OE1-NE2 3.73Å; E75-H149 PolarHBondContact OE1-NE2 2.84Å; A76-H149 PolarHBondContact O-CE1 3.36Å; P78-H149 HydrophobicContact CB-CB 4.34Å; H149-E156 WeakPolarHBondContact CB-OE1 3.45Å; H149-E156 PolarHBondContact N-OE1 3.07Å; H149-E156 PolarHBondContact N-OE2 2.94Å; H149-W215 PolarHBondContact O-NE1 3.32Å; H149-R248 CarbonylContact O-C 3.54Å; H149-R248 WeakPolarHBondContact O-CA 3.17Å; H149-L249 PolarHBondContact O-N 3.26Å
150	D	97.9	Very high	94.2	Very high	16 Å²	16	54.1 Å²	54.1	9%	0.086	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-105.3	104.7	177.6	-163.6	-25.9	0	0	0	110.4	G152 R153 E156 T247 R248	D150-G152 PolarHBondContact O-N 3.36Å; D150-G152 VanDerWaalsContact O-N 3.08Å; D150-G152 PolarHBondContact OD1-N 2.63Å; D150-G152 VanDerWaalsContact OD1-N 3.1Å; D150-R153 HydrophobicContact CB-CB 4.27Å; D150-R153 HydrophobicContact CB-CG 4.07Å; D150-R153 PolarHBondContact O-N 2.94Å; D150-E156 PolarHBondContact N-OE1 3.31Å; D150-E156 PolarHBondContact N-OE2 3.24Å; D150-T247 WeakPolarHBondContact CA-O 3.36Å; D150-T247 WeakPolarHBondContact OD1-CB 3.25Å; D150-T247 PolarHBondContact OD1-OG1 3.19Å; D150-R248 HydrophobicContact CB-CG 4.01Å; D150-R248 WeakPolarHBondContact OD2-CG 2.98Å; D150-R248 IonicContact OD2-NE 3.24Å; D150-R248 PolarHBondContact OD2-NE 2.9Å
151	L	95.6	Very high	95	Very high	34 Å²	34	52.2 Å²	52.2	18%	0.178	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	-178.9	-66.6	175.5	0	0	0	112.9	F86 I145 A148 R153 W215 T247	F86-L151 HydrophobicContact CB-CD1 4.43Å; F86-L151 HydrophobicContact CB-CD2 3.93Å; F86-L151 HydrophobicContact CD1-CD1 4.26Å; F86-L151 HydrophobicContact CD1-CD2 4.18Å; F86-L151 HydrophobicContact CD2-CD1 3.52Å; F86-L151 HydrophobicContact CD2-CD2 4.48Å; F86-L151 HydrophobicContact CE1-CD1 4.36Å; F86-L151 HydrophobicContact CE2-CD1 3.67Å; F86-L151 HydrophobicContact CG-CD1 3.81Å; F86-L151 HydrophobicContact CG-CD2 3.95Å; F86-L151 HydrophobicContact CZ-CD1 4.08Å; I145-L151 HydrophobicContact CD1-CD2 4.27Å; A148-L151 HydrophobicContact CB-CD2 4.13Å; L151-R153 VanDerWaalsContact C-N 3.25Å; L151-R153 PolarHBondContact O-N 2.98Å; L151-W215 HydrophobicContact CD1-CB 3.91Å; L151-W215 HydrophobicContact CD1-CD2 3.87Å; L151-W215 HydrophobicContact CD1-CG 3.51Å; L151-W215 HydrophobicContact CD2-CZ2 4.44Å; L151-W215 HydrophobicContact CG-CD2 4.24Å; L151-W215 HydrophobicContact CG-CG 4.12Å; L151-T247 PolarHBondContact N-O 3.16Å
152	G	95.2	Very high	95.7	Very high	58 Å²	58	46.6 Å²	46.6	60%	0.598	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.5	174.5	0	0	0	0	0	113.8	D150	D150-G152 PolarHBondContact O-N 3.36Å; D150-G152 VanDerWaalsContact O-N 3.08Å; D150-G152 PolarHBondContact OD1-N 2.63Å; D150-G152 VanDerWaalsContact OD1-N 3.1Å
153	R	96.3	Very high	96.2	Very high	127 Å²	127	51 Å²	51	48%	0.479	27%	0.267	S	S	.	.			trans	-101.5	115.4	176.5	-65.8	-173.5	62.8	-162.3	-4	110.3	D150 L151 D155 E156 R159	D150-R153 HydrophobicContact CB-CB 4.27Å; D150-R153 HydrophobicContact CB-CG 4.07Å; D150-R153 PolarHBondContact O-N 2.94Å; L151-R153 VanDerWaalsContact C-N 3.25Å; L151-R153 PolarHBondContact O-N 2.98Å; R153-D155 VanDerWaalsContact C-N 3.35Å; R153-D155 IonicContact NE-OD1 3.69Å; R153-D155 IonicContact NH2-OD1 3.69Å; R153-E156 HydrophobicContact CB-CG 3.89Å; R153-R159 PolarHBondContact O-NH1 3.34Å
154	L	94.5	Very high	96.4	Very high	134 Å²	134	48.6 Å²	48.6	70%	0.702	25%	0.252	S	S	*	.	S	Bend	trans	-85.6	-10.8	-177.6	-57	-176.9	0	0	0	113
155	D	95.8	Very high	96.1	Very high	120 Å²	120	55.4 Å²	55.4	64%	0.642	28%	0.282	S	S	*	.			trans	-111.2	20.6	-169.4	68.4	-27.1	0	0	0	113.8	R153 E157	R153-D155 VanDerWaalsContact C-N 3.35Å; R153-D155 IonicContact NE-OD1 3.69Å; R153-D155 IonicContact NH2-OD1 3.69Å; D155-E157 PolarHBondContact O-N 2.86Å
156	E	97.3	Very high	95.8	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.065	30%	0.302	C	S	.	.			trans	-67.7	129.8	175.9	-62.2	-174.5	119.4	0	0	110.9	H79 A148 H149 D150 R153 G158 R159	H79-E156 IonicContact CE1-OE1 3.71Å; A148-E156 WeakPolarHBondContact CA-OE2 3.41Å; A148-E156 WeakPolarHBondContact CB-OE2 3.32Å; H149-E156 WeakPolarHBondContact CB-OE1 3.45Å; H149-E156 PolarHBondContact N-OE1 3.07Å; H149-E156 PolarHBondContact N-OE2 2.94Å; D150-E156 PolarHBondContact N-OE1 3.31Å; D150-E156 PolarHBondContact N-OE2 3.24Å; R153-E156 HydrophobicContact CB-CG 3.89Å; E156-G158 PolarHBondContact O-N 2.04Å; E156-G158 VanDerWaalsContact O-N 3.08Å; E156-R159 HydrophobicContact CB-CB 4.27Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.77Å
157	E	93.4	Very high	95.5	Very high	165 Å²	165	61.3 Å²	61.3	77%	0.771	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.4	-173.6	-171.2	-175.3	145.2	0	0	114	D155 Y192	D155-E157 PolarHBondContact O-N 2.86Å; E157-Y192 HydrophobicContact CB-CE2 4.33Å; E157-Y192 VanDerWaalsContact CD-OH 3.22Å; E157-Y192 HydrophobicContact CG-CE2 4.09Å; E157-Y192 PolarHBondContact OE1-OH 3.29Å; E157-Y192 PolarHBondContact OE2-OH 3.06Å
158	G	94.5	Very high	95.2	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.9	-179.7	0	0	0	0	0	116.2	E156 Q160 Y192	E156-G158 PolarHBondContact O-N 2.04Å; E156-G158 VanDerWaalsContact O-N 3.08Å; G158-Q160 PolarHBondContact O-N 2.93Å; G158-Y192 VanDerWaalsContact CA-CB 3.44Å; G158-Y192 VanDerWaalsContact CA-CD2 3.41Å
159	R	98	Very high	94.9	Very high	47 Å²	47	63.7 Å²	63.7	18%	0.177	32%	0.321	C	S	.	.			trans	-69.7	123.1	-168.1	-174.8	177.5	177.9	132.3	-4.4	111.3	I145 A146 R153 E156	I145-R159 VanDerWaalsContact CD1-NH2 3.31Å; I145-R159 HydrophobicContact CG2-CG 3.89Å; A146-R159 WeakPolarHBondContact O-CA 2.88Å; R153-R159 PolarHBondContact O-NH1 3.34Å; E156-R159 HydrophobicContact CB-CB 4.27Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.77Å
160	Q	98.2	Very high	94.6	Very high	37 Å²	37	63.9 Å²	63.9	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.4	174.2	-62.4	-179.2	48.6	0	0	110.3	I145 A146 G158 F187 V188 V193	I145-Q160 WeakPolarHBondContact CA-O 3.35Å; A146-Q160 PolarHBondContact N-O 3.3Å; A146-Q160 PolarHBondContact O-N 3.01Å; G158-Q160 PolarHBondContact O-N 2.93Å; Q160-F187 HydrophobicContact CB-CD1 3.53Å; Q160-F187 HydrophobicContact CB-CE1 3.68Å; Q160-F187 HydrophobicContact CG-CD1 4.5Å; Q160-F187 WeakPolarHBondContact O-CE1 3.47Å; Q160-V188 PolarHBondContact NE2-O 2.03Å; Q160-V193 HydrophobicContact CG-CG2 4.46Å
161	N	96.7	Very high	94	Very high	117 Å²	117	69 Å²	69	63%	0.626	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	120	176.3	-59.9	-56.7	0	0	0	109.8	V144	V144-N161 CarbonylContact O-C 3.49Å; V144-N161 WeakPolarHBondContact O-CA 3.47Å
162	G	96.4	Very high	93.2	Very high	8 Å²	8	69.8 Å²	69.8	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136	176.4	0	0	0	0	0	111	V144	V144-G162 PolarHBondContact N-O 2.78Å; V144-G162 PolarHBondContact O-N 3.04Å
163	K	94.1	Very high	92.4	Very high	104 Å²	104	68.9 Å²	68.9	45%	0.452	36%	0.358	S	S	.	.			trans	-104.5	131.8	173.9	-168.1	168.5	162.1	-124.7	0	109.8	L183 E184	K163-L183 CarbonylContact O-C 3.52Å; K163-L183 VanDerWaalsContact O-CA 3.28Å; K163-L183 WeakPolarHBondContact O-CA 2.96Å; K163-E184 HydrophobicContact CB-CG 4.48Å; K163-E184 WeakPolarHBondContact CD-OE2 3.35Å; K163-E184 WeakPolarHBondContact CE-OE1 3.46Å; K163-E184 HydrophobicContact CG-CG 4.49Å; K163-E184 VanDerWaalsContact NZ-CD 3.3Å; K163-E184 IonicContact NZ-OE1 2.88Å; K163-E184 PolarHBondContact NZ-OE1 3.2Å; K163-E184 IonicContact NZ-OE2 3.78Å; K163-E184 PolarHBondContact NZ-OE2 3.48Å; K163-E184 PolarHBondContact O-N 2.94Å
164	V	93.4	Very high	91.3	Very high	10 Å²	10	66.7 Å²	66.7	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.4	-172.9	-176.3	0	0	0	0	111.1	Y89 L139 V144 V167 I181 L183	Y89-V164 HydrophobicContact CE1-CG2 4.29Å; Y89-V164 WeakPolarHBondContact OH-CG2 3.29Å; L139-V164 HydrophobicContact CD1-CG1 4.5Å; L139-V164 HydrophobicContact CD2-CB 3.98Å; L139-V164 HydrophobicContact CD2-CG1 3.58Å; L139-V164 HydrophobicContact CD2-CG2 4.31Å; V144-V164 HydrophobicContact CG2-CG2 3.76Å; V164-V167 HydrophobicContact CG1-CG2 4.1Å; V164-I181 HydrophobicContact CB-CG2 4.31Å; V164-I181 HydrophobicContact CG1-CG2 3.71Å; V164-I181 HydrophobicContact CG2-CG2 3.8Å; V164-L183 HydrophobicContact CG2-CD2 4.45Å
165	K	91.3	Very high	90.9	Very high	144 Å²	144	64.9 Å²	64.9	63%	0.626	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	-44.8	171.7	-178.4	179.7	179.1	178.2	0	111.6	I182 E184	K165-I182 WeakPolarHBondContact CA-O 3.08Å; K165-I182 WeakPolarHBondContact CB-O 3.3Å; K165-I182 PolarHBondContact N-O 2.82Å; K165-E184 HydrophobicContact CB-CB 4.48Å; K165-E184 HydrophobicContact CB-CG 3.8Å; K165-E184 HydrophobicContact CG-CG 4.49Å
166	Q	91	Very high	90.7	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.472	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	150.7	-172.8	-176.6	177.1	6.6	0	0	111.7	I168 I182	Q166-I168 HydrophobicContact CG-CG1 4.09Å; Q166-I182 HydrophobicContact CB-CB 4.24Å; Q166-I182 PolarHBondContact N-O 3.07Å; Q166-I182 VanDerWaalsContact N-O 3.1Å; Q166-I182 PolarHBondContact O-N 2.91Å
167	V	91.4	Very high	90.6	Very high	32 Å²	32	60.4 Å²	60.4	19%	0.194	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.4	168.1	168.1	0	0	0	0	110	L117 I134 L139 V164 L169 L180 I181	L117-V167 HydrophobicContact CB-CG1 4.09Å; L117-V167 HydrophobicContact CD1-CB 4.26Å; L117-V167 HydrophobicContact CD1-CG1 3.31Å; L117-V167 HydrophobicContact CD1-CG2 3.95Å; L117-V167 HydrophobicContact CG-CG1 4.27Å; I134-V167 HydrophobicContact CD1-CG2 4.16Å; L139-V167 HydrophobicContact CD1-CG2 4.37Å; L139-V167 HydrophobicContact CD2-CG2 3.84Å; V164-V167 HydrophobicContact CG1-CG2 4.1Å; V167-L169 HydrophobicContact CG1-CD2 4.17Å; V167-L180 WeakPolarHBondContact CA-O 3.04Å; V167-I181 HydrophobicContact CG2-CG1 4.18Å
168	I	92.2	Very high	90.7	Very high	24 Å²	24	52.6 Å²	52.6	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.5	-179.9	-48.9	172.4	0	0	0	108	Q166 A179 L180 I182 F333 R337	Q166-I168 HydrophobicContact CG-CG1 4.09Å; I168-A179 CarbonylContact O-C 3.57Å; I168-A179 VanDerWaalsContact O-CA 3.31Å; I168-A179 WeakPolarHBondContact O-CA 3.28Å; I168-L180 HydrophobicContact CB-CB 4.27Å; I168-L180 PolarHBondContact N-O 2.94Å; I168-L180 PolarHBondContact O-N 3.32Å; I168-I182 HydrophobicContact CD1-CG1 4.22Å; I168-F333 HydrophobicContact CG2-CE2 4.15Å; I168-F333 HydrophobicContact CG2-CZ 4.28Å; I168-R337 HydrophobicContact CD1-CB 4.18Å; I168-R337 HydrophobicContact CG2-CG 4.01Å
169	L	91.5	Very high	90.7	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.199	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.4	174.3	-60	-168.7	0	0	0	111	A114 K118 L133 V167 A179	A114-L169 HydrophobicContact CB-CD2 3.92Å; K118-L169 HydrophobicContact CD-CD1 4.43Å; K118-L169 HydrophobicContact CG-CD1 4.42Å; L133-L169 HydrophobicContact CD2-CD1 3.34Å; L133-L169 HydrophobicContact CD2-CD2 4.29Å; L133-L169 HydrophobicContact CD2-CG 3.85Å; L133-L169 HydrophobicContact CG-CD1 4.36Å; V167-L169 HydrophobicContact CG1-CD2 4.17Å; L169-A179 HydrophobicContact CD2-CB 3.52Å
170	A	91.8	Very high	90.6	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.7	145.6	162.6	0	0	0	0	0	111.2	N176 I178 F333	A170-N176 HydrophobicContact CB-CB 4.29Å; A170-I178 HydrophobicContact CB-CG2 3.39Å; A170-I178 PolarHBondContact N-O 2.84Å; A170-I178 VanDerWaalsContact N-O 3.08Å; A170-F333 HydrophobicContact CB-CD1 4.23Å; A170-F333 HydrophobicContact CB-CD2 4.14Å; A170-F333 HydrophobicContact CB-CE1 4.13Å; A170-F333 HydrophobicContact CB-CE2 4.03Å; A170-F333 HydrophobicContact CB-CG 4.24Å; A170-F333 HydrophobicContact CB-CZ 4.03Å
171	D	86	Confident	90.5	Very high	125 Å²	125	48.5 Å²	48.5	67%	0.668	28%	0.276	S	S	*	.	S	Bend	trans	-69.2	156.4	169.9	-60.4	-43	0	0	0	110.2	N176	D171-N176 WeakPolarHBondContact O-CB 3.36Å; D171-N176 PolarHBondContact O-ND2 2.8Å
172	G	78.4	Confident	90.4	Very high	49 Å²	49	44 Å²	44	51%	0.505	25%	0.252	S	S	.	.	S	Bend	trans	106.8	8.6	178.8	0	0	0	0	0	115.5	K175	G172-K175 PolarHBondContact O-N 3.32Å
173	G	78.2	Confident	90.4	Very high	40 Å²	40	43.6 Å²	43.6	41%	0.412	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	-135.8	167.6	0	0	0	0	0	113.8	K175 N176	G173-K175 VanDerWaalsContact C-N 3.28Å; G173-K175 PolarHBondContact O-N 3.2Å; G173-N176 PolarHBondContact O-N 3.21Å
174	A	74	Confident	90.4	Very high	81 Å²	81	42.7 Å²	42.7	67%	0.669	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.9	-177	0	0	0	0	0	113.6	K311	A174-K311 PolarHBondContact O-NZ 2.6Å
175	K	85.8	Confident	90.5	Very high	95 Å²	95	48.1 Å²	48.1	41%	0.413	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-43.9	175.1	-177.4	-178.8	175.5	171.6	0	110.4	G172 G173 D177 D271 V274 H275 M325	G172-K175 PolarHBondContact O-N 3.32Å; G173-K175 VanDerWaalsContact C-N 3.28Å; G173-K175 PolarHBondContact O-N 3.2Å; K175-D177 PolarHBondContact O-N 2.96Å; K175-D271 WeakPolarHBondContact CE-OD2 3.39Å; K175-D271 IonicContact NZ-OD2 2.62Å; K175-D271 PolarHBondContact NZ-OD2 2.02Å; K175-V274 HydrophobicContact CG-CG2 4.19Å; K175-H275 PolarHBondContact O-NE2 2.82Å; K175-M325 VanDerWaalsContact O-CE 3.32Å; K175-M325 WeakPolarHBondContact O-CE 3.45Å
176	N	91.1	Very high	90.9	Very high	33 Å²	33	43.5 Å²	43.5	18%	0.176	26%	0.26	C	S	.	.	S	Bend	trans	-101.9	73	-177.4	-66.9	-4	0	0	0	110.5	A170 D171 G173 I178 Y330	A170-N176 HydrophobicContact CB-CB 4.29Å; D171-N176 WeakPolarHBondContact O-CB 3.36Å; D171-N176 PolarHBondContact O-ND2 2.8Å; G173-N176 PolarHBondContact O-N 3.21Å; N176-I178 PolarHBondContact O-N 2.86Å; N176-Y330 WeakPolarHBondContact CA-OH 3.31Å; N176-Y330 HydrophobicContact CB-CE1 4.02Å; N176-Y330 PolarHBondContact OD1-OH 2.9Å
177	D	94.3	Very high	91.2	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	24%	0.238	C	C	.	.			trans	-86.7	58.5	-173.9	-169.3	17.3	0	0	0	112.5	A113 A114 H115 K175 K311 M325	A113-D177 WeakPolarHBondContact CA-O 3.31Å; A114-D177 WeakPolarHBondContact CA-OD1 3.22Å; A114-D177 WeakPolarHBondContact CB-OD1 3.4Å; A114-D177 PolarHBondContact N-O 2.61Å; A114-D177 PolarHBondContact N-OD1 3.01Å; H115-D177 IonicContact CE1-OD2 3.26Å; H115-D177 IonicContact CG-OD1 2.62Å; H115-D177 IonicContact CG-OD2 3.72Å; H115-D177 PolarHBondContact N-OD1 3.23Å; H115-D177 IonicContact ND1-OD1 3.68Å; H115-D177 PolarHBondContact ND1-OD1 2.9Å; H115-D177 IonicContact ND1-OD2 3.81Å; H115-D177 PolarHBondContact ND1-OD2 3.37Å; K175-D177 PolarHBondContact O-N 2.96Å; D177-K311 HydrophobicContact CB-CD 4.03Å; D177-K311 HydrophobicContact CB-CG 4.35Å; D177-K311 WeakPolarHBondContact OD2-CG 3.32Å; D177-K311 IonicContact OD2-NZ 3.27Å; D177-K311 PolarHBondContact OD2-NZ 2.93Å; D177-M325 HydrophobicContact CB-SD 3.91Å; D177-M325 WeakPolarHBondContact O-CG 3.19Å
178	I	95.4	Very high	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.255	C	S	.	.			trans	-134	143.3	-178.6	-161.8	171.6	0	0	0	110.4	L111 A170 N176 M325 I327 Y330 F333	L111-I178 HydrophobicContact CD1-CD1 3.83Å; L111-I178 HydrophobicContact CD1-CG1 3.74Å; L111-I178 HydrophobicContact CD2-CD1 4.12Å; L111-I178 HydrophobicContact CG-CD1 4.18Å; L111-I178 HydrophobicContact CG-CG1 4.16Å; A170-I178 HydrophobicContact CB-CG2 3.39Å; A170-I178 PolarHBondContact N-O 2.84Å; A170-I178 VanDerWaalsContact N-O 3.08Å; N176-I178 PolarHBondContact O-N 2.86Å; I178-M325 HydrophobicContact CB-CG 4.41Å; I178-I327 HydrophobicContact CD1-CD1 4.04Å; I178-Y330 HydrophobicContact CD1-CD1 4.35Å; I178-Y330 HydrophobicContact CD1-CD2 3.74Å; I178-Y330 HydrophobicContact CD1-CE2 4.45Å; I178-Y330 HydrophobicContact CD1-CG 3.7Å; I178-Y330 HydrophobicContact CG2-CD1 3.48Å; I178-Y330 VanDerWaalsContact CG2-CD1 3.48Å; I178-Y330 HydrophobicContact CG2-CD2 4.4Å; I178-Y330 HydrophobicContact CG2-CE1 3.55Å; I178-Y330 HydrophobicContact CG2-CG 3.93Å; I178-F333 HydrophobicContact CG2-CD1 4.39Å; I178-F333 HydrophobicContact CG2-CE1 4.32Å
179	A	95.2	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.1	179.7	0	0	0	0	0	111.7	T112 A114 L117 I168 L169	T112-A179 HydrophobicContact CG2-CB 4.34Å; T112-A179 PolarHBondContact N-O 3.19Å; T112-A179 PolarHBondContact O-N 3.33Å; A114-A179 HydrophobicContact CB-CB 4.3Å; L117-A179 HydrophobicContact CD1-CB 3.66Å; I168-A179 CarbonylContact O-C 3.57Å; I168-A179 VanDerWaalsContact O-CA 3.31Å; I168-A179 WeakPolarHBondContact O-CA 3.28Å; L169-A179 HydrophobicContact CD2-CB 3.52Å
180	L	95.9	Very high	92	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.7	169.6	-65.3	164.3	0	0	0	110	L99 V109 L110 L111 V167 I168 F333 I334 R337 T338	L99-L180 HydrophobicContact CD1-CD2 3.93Å; V109-L180 HydrophobicContact CG1-CD2 3.9Å; L110-L180 CarbonylContact O-C 3.47Å; L110-L180 VanDerWaalsContact O-CA 3.27Å; L110-L180 WeakPolarHBondContact O-CA 3.41Å; L111-L180 HydrophobicContact CD1-CD2 3.65Å; L111-L180 HydrophobicContact CD1-CG 4.35Å; V167-L180 WeakPolarHBondContact CA-O 3.04Å; I168-L180 HydrophobicContact CB-CB 4.27Å; I168-L180 PolarHBondContact N-O 2.94Å; I168-L180 PolarHBondContact O-N 3.32Å; L180-F333 HydrophobicContact CD1-CE1 3.93Å; L180-F333 HydrophobicContact CD1-CZ 3.96Å; L180-F333 HydrophobicContact CG-CE1 3.93Å; L180-F333 HydrophobicContact CG-CZ 4.16Å; L180-I334 HydrophobicContact CD2-CG2 4.48Å; L180-R337 HydrophobicContact CD1-CB 3.7Å; L180-R337 HydrophobicContact CD1-CG 4.42Å; L180-T338 HydrophobicContact CD1-CG2 3.63Å; L180-T338 HydrophobicContact CD2-CG2 4.25Å
181	I	95.5	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.7	163.9	-59.7	172.8	0	0	0	106.7	I87 L110 T112 L117 V164 V167 L183	I87-I181 HydrophobicContact CD1-CD1 3.62Å; I87-I181 HydrophobicContact CG1-CD1 4.35Å; I87-I181 HydrophobicContact CG2-CD1 4.36Å; L110-I181 HydrophobicContact CB-CB 4.19Å; L110-I181 HydrophobicContact CD1-CB 4.37Å; L110-I181 HydrophobicContact CD1-CG2 4.31Å; L110-I181 PolarHBondContact N-O 2.65Å; L110-I181 PolarHBondContact O-N 2.93Å; T112-I181 HydrophobicContact CG2-CD1 3.94Å; T112-I181 HydrophobicContact CG2-CG1 4.16Å; L117-I181 HydrophobicContact CD1-CD1 4.24Å; L117-I181 HydrophobicContact CD1-CG1 3.82Å; L117-I181 HydrophobicContact CD2-CD1 4.04Å; L117-I181 HydrophobicContact CD2-CG1 4.41Å; V164-I181 HydrophobicContact CB-CG2 4.31Å; V164-I181 HydrophobicContact CG1-CG2 3.71Å; V164-I181 HydrophobicContact CG2-CG2 3.8Å; V167-I181 HydrophobicContact CG2-CG1 4.18Å; I181-L183 HydrophobicContact CG2-CD2 4.15Å
182	I	94.9	Very high	92.9	Very high	22 Å²	22	42 Å²	42	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.3	172.5	-49.4	-57.6	0	0	0	107.5	N108 V109 K165 Q166 I168	N108-I182 WeakPolarHBondContact O-CA 3.19Å; V109-I182 HydrophobicContact CG1-CD1 4.15Å; V109-I182 HydrophobicContact CG2-CD1 4.16Å; K165-I182 WeakPolarHBondContact CA-O 3.08Å; K165-I182 WeakPolarHBondContact CB-O 3.3Å; K165-I182 PolarHBondContact N-O 2.82Å; Q166-I182 HydrophobicContact CB-CB 4.24Å; Q166-I182 PolarHBondContact N-O 3.07Å; Q166-I182 VanDerWaalsContact N-O 3.1Å; Q166-I182 PolarHBondContact O-N 2.91Å; I168-I182 HydrophobicContact CD1-CG1 4.22Å
183	L	96	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	154.4	176.7	-58	179.9	0	0	0	111.5	N108 L110 V144 K163 V164 I181 N185 F187	N108-L183 HydrophobicContact CB-CB 4.09Å; N108-L183 PolarHBondContact O-N 3.43Å; L110-L183 HydrophobicContact CD1-CD1 4.05Å; L110-L183 HydrophobicContact CD1-CD2 3.91Å; L110-L183 HydrophobicContact CD1-CG 4Å; L110-L183 HydrophobicContact CG-CD1 4.43Å; L110-L183 HydrophobicContact CG-CG 4.38Å; V144-L183 HydrophobicContact CB-CD2 4.32Å; V144-L183 HydrophobicContact CG1-CD2 4.43Å; V144-L183 HydrophobicContact CG2-CD2 4.28Å; K163-L183 CarbonylContact O-C 3.52Å; K163-L183 VanDerWaalsContact O-CA 3.28Å; K163-L183 WeakPolarHBondContact O-CA 2.96Å; V164-L183 HydrophobicContact CG2-CD2 4.45Å; I181-L183 HydrophobicContact CG2-CD2 4.15Å; L183-N185 VanDerWaalsContact CB-O 3.22Å; L183-N185 WeakPolarHBondContact CB-O 3.45Å; L183-F187 HydrophobicContact CD1-CD1 4.47Å; L183-F187 HydrophobicContact CD1-CD2 3.72Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD1-CE2 3.46Å; L183-F187 VanDerWaalsContact CD1-CE2 3.46Å; L183-F187 HydrophobicContact CD1-CG 4.23Å; L183-F187 HydrophobicContact CD1-CZ 3.76Å
184	E	94.6	Very high	94.7	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-44.7	171.2	-70.3	-177	-178.2	0	0	110.7	K163 K165	K163-E184 HydrophobicContact CB-CG 4.48Å; K163-E184 WeakPolarHBondContact CD-OE2 3.35Å; K163-E184 WeakPolarHBondContact CE-OE1 3.46Å; K163-E184 HydrophobicContact CG-CG 4.49Å; K163-E184 VanDerWaalsContact NZ-CD 3.3Å; K163-E184 IonicContact NZ-OE1 2.88Å; K163-E184 PolarHBondContact NZ-OE1 3.2Å; K163-E184 IonicContact NZ-OE2 3.78Å; K163-E184 PolarHBondContact NZ-OE2 3.48Å; K163-E184 PolarHBondContact O-N 2.94Å; K165-E184 HydrophobicContact CB-CB 4.48Å; K165-E184 HydrophobicContact CB-CG 3.8Å; K165-E184 HydrophobicContact CG-CG 4.49Å
185	N	96.5	Very high	95.8	Very high	123 Å²	123	35.3 Å²	35.3	66%	0.658	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.4	176.9	-60.4	-51.3	0	0	0	110	L183	L183-N185 VanDerWaalsContact CB-O 3.22Å; L183-N185 WeakPolarHBondContact CB-O 3.45Å
186	S	98	Very high	96.3	Very high	48 Å²	48	30.8 Å²	30.8	34%	0.336	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.8	176	-60.5	0	0	0	0	111.8	S106 S107	S106-S186 VanDerWaalsContact OG-CB 3.29Å; S106-S186 WeakPolarHBondContact OG-CB 3.41Å; S106-S186 PolarHBondContact OG-OG 3.21Å; S107-S186 WeakPolarHBondContact O-CA 3.39Å
187	F	98.4	Very high	96.5	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.4	157.8	-70.7	-46.7	0	0	0	109.5	V85 I98 S106 S107 L110 V144 A146 Q160 L183 V193	V85-F187 HydrophobicContact CG1-CE2 3.96Å; I98-F187 HydrophobicContact CD1-CD2 4.06Å; I98-F187 HydrophobicContact CG1-CD2 4.33Å; S106-F187 CarbonylContact C-O 3.6Å; S106-F187 WeakPolarHBondContact CA-O 3.31Å; S106-F187 VanDerWaalsContact CB-O 3.25Å; S106-F187 WeakPolarHBondContact CB-O 3.42Å; S107-F187 PolarHBondContact N-O 2.8Å; S107-F187 PolarHBondContact O-N 3.19Å; L110-F187 HydrophobicContact CD1-CE2 4.3Å; L110-F187 HydrophobicContact CD2-CD2 4.13Å; L110-F187 HydrophobicContact CD2-CE2 4.06Å; V144-F187 HydrophobicContact CG1-CE2 4.2Å; V144-F187 HydrophobicContact CG1-CZ 4.06Å; A146-F187 HydrophobicContact CB-CD1 3.99Å; A146-F187 HydrophobicContact CB-CD2 3.79Å; A146-F187 HydrophobicContact CB-CE1 3.83Å; A146-F187 HydrophobicContact CB-CE2 3.62Å; A146-F187 HydrophobicContact CB-CG 3.98Å; A146-F187 HydrophobicContact CB-CZ 3.64Å; Q160-F187 HydrophobicContact CB-CD1 3.53Å; Q160-F187 HydrophobicContact CB-CE1 3.68Å; Q160-F187 HydrophobicContact CG-CD1 4.5Å; Q160-F187 WeakPolarHBondContact O-CE1 3.47Å; L183-F187 HydrophobicContact CD1-CD1 4.47Å; L183-F187 HydrophobicContact CD1-CD2 3.72Å; L183-F187 HydrophobicContact CD1-CE1 4.26Å; L183-F187 HydrophobicContact CD1-CE2 3.46Å; L183-F187 VanDerWaalsContact CD1-CE2 3.46Å; L183-F187 HydrophobicContact CD1-CG 4.23Å; L183-F187 HydrophobicContact CD1-CZ 3.76Å; F187-V193 HydrophobicContact CB-CG1 3.96Å; F187-V193 HydrophobicContact CG-CG1 4.47Å
188	V	97.9	Very high	96.4	Very high	89 Å²	89	28.8 Å²	28.8	54%	0.539	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.3	177.5	-178	0	0	0	0	108.5	Q160	Q160-V188 PolarHBondContact NE2-O 2.03Å
189	F	97.6	Very high	96.1	Very high	24 Å²	24	28.9 Å²	28.9	11%	0.105	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-75.2	137.2	-179.3	-66.6	-6.6	0	0	0	111.5	V53 I98 K104 N105 V193	V53-F189 HydrophobicContact CG1-CD2 4.35Å; I98-F189 HydrophobicContact CG2-CE1 3.77Å; I98-F189 HydrophobicContact CG2-CZ 4.01Å; K104-F189 VanDerWaalsContact O-CD2 3.28Å; K104-F189 WeakPolarHBondContact O-CD2 3.34Å; N105-F189 WeakPolarHBondContact O-CB 3.47Å; N105-F189 PolarHBondContact O-N 3.34Å; F189-V193 CarbonylContact C-O 3.5Å; F189-V193 WeakPolarHBondContact CA-O 3.38Å; F189-V193 WeakPolarHBondContact CB-O 3.16Å; F189-V193 HydrophobicContact CD1-CG1 4.35Å
190	N	96.7	Very high	95.4	Very high	61 Å²	61	30.9 Å²	30.9	33%	0.326	16%	0.163	S	C	.	.	S	Bend	trans	-157.4	-164.4	177.9	62.2	27.4	0	0	0	109	Y192 V193 K194	N190-Y192 PolarHBondContact O-N 3.37Å; N190-Y192 WeakPolarHBondContact OD1-CA 3.43Å; N190-Y192 WeakPolarHBondContact OD1-CB 3.35Å; N190-Y192 PolarHBondContact OD1-N 3.06Å; N190-V193 PolarHBondContact N-O 2.85Å; N190-V193 PolarHBondContact O-N 3.11Å; N190-V193 VanDerWaalsContact O-O 3.06Å; N190-V193 PolarHBondContact OD1-N 2.91Å; N190-K194 WeakPolarHBondContact O-CE 3.2Å; N190-K194 WeakPolarHBondContact O-CG 3.42Å
191	D	97.3	Very high	94.5	Very high	85 Å²	85	33.6 Å²	33.6	46%	0.455	18%	0.177	S	C	.	.	S	Bend	trans	-62.9	-25	-179.6	-72	-31.6	0	0	0	114.2	S58 F59	S58-D191 VanDerWaalsContact CB-OD1 3.32Å; S58-D191 WeakPolarHBondContact CB-OD1 3.48Å; S58-D191 PolarHBondContact OG-OD1 3.45Å; F59-D191 HydrophobicContact CE2-CB 4.08Å; F59-D191 VanDerWaalsContact CE2-O 3.28Å; F59-D191 WeakPolarHBondContact CE2-O 3.37Å; F59-D191 HydrophobicContact CZ-CB 4.3Å
192	Y	98.1	Very high	93.8	Very high	36 Å²	36	37.2 Å²	37.2	14%	0.141	20%	0.197	C	C	.	.	S	Bend	trans	-99.1	-22.5	-175	-51.8	-80.1	0	0	0	113.6	F59 H79 P82 G147 E157 G158 N190	F59-Y192 HydrophobicContact CE1-CE1 4.48Å; F59-Y192 AromaticContact CE2-CD1 3.76Å; F59-Y192 HydrophobicContact CE2-CD1 3.76Å; F59-Y192 AromaticContact CE2-CE1 3.89Å; F59-Y192 HydrophobicContact CE2-CE1 3.89Å; F59-Y192 HydrophobicContact CE2-CG 4.47Å; F59-Y192 AromaticContact CZ-CD1 3.85Å; F59-Y192 HydrophobicContact CZ-CD1 3.85Å; F59-Y192 AromaticContact CZ-CE1 3.46Å; F59-Y192 HydrophobicContact CZ-CE1 3.46Å; F59-Y192 VanDerWaalsContact CZ-CE1 3.46Å; H79-Y192 HydrophobicContact CB-CD1 3.71Å; H79-Y192 HydrophobicContact CB-CE1 4.35Å; H79-Y192 AromaticContact CD2-CD1 3.9Å; H79-Y192 AromaticContact CD2-CE1 3.85Å; H79-Y192 AromaticContact CG-CD1 3.48Å; H79-Y192 VanDerWaalsContact CG-CD1 3.48Å; H79-Y192 AromaticContact CG-CE1 3.92Å; H79-Y192 AromaticContact ND1-CD1 3.73Å; P82-Y192 VanDerWaalsContact CA-O 3.23Å; P82-Y192 WeakPolarHBondContact CA-O 3.42Å; P82-Y192 VanDerWaalsContact CB-O 3.22Å; P82-Y192 WeakPolarHBondContact CB-O 3.46Å; G147-Y192 WeakPolarHBondContact CA-O 3.17Å; E157-Y192 HydrophobicContact CB-CE2 4.33Å; E157-Y192 VanDerWaalsContact CD-OH 3.22Å; E157-Y192 HydrophobicContact CG-CE2 4.09Å; E157-Y192 PolarHBondContact OE1-OH 3.29Å; E157-Y192 PolarHBondContact OE2-OH 3.06Å; G158-Y192 VanDerWaalsContact CA-CB 3.44Å; G158-Y192 VanDerWaalsContact CA-CD2 3.41Å; N190-Y192 PolarHBondContact O-N 3.37Å; N190-Y192 WeakPolarHBondContact OD1-CA 3.43Å; N190-Y192 WeakPolarHBondContact OD1-CB 3.35Å; N190-Y192 PolarHBondContact OD1-N 3.06Å
193	V	98.3	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.			trans	-132.5	116.6	-175.7	-175.3	0	0	0	0	109.9	P82 I98 A146 Q160 F187 F189 N190	P82-V193 WeakPolarHBondContact O-CA 3.4Å; I98-V193 HydrophobicContact CD1-CG1 3.45Å; I98-V193 VanDerWaalsContact CD1-CG1 3.45Å; A146-V193 HydrophobicContact CB-CG1 3.97Å; A146-V193 HydrophobicContact CB-CG2 3.95Å; Q160-V193 HydrophobicContact CG-CG2 4.46Å; F187-V193 HydrophobicContact CB-CG1 3.96Å; F187-V193 HydrophobicContact CG-CG1 4.47Å; F189-V193 CarbonylContact C-O 3.5Å; F189-V193 WeakPolarHBondContact CA-O 3.38Å; F189-V193 WeakPolarHBondContact CB-O 3.16Å; F189-V193 HydrophobicContact CD1-CG1 4.35Å; N190-V193 PolarHBondContact N-O 2.85Å; N190-V193 PolarHBondContact O-N 3.11Å; N190-V193 VanDerWaalsContact O-O 3.06Å; N190-V193 PolarHBondContact OD1-N 2.91Å
194	K	97.3	Very high	93.3	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.126	22%	0.217	C	C	.	.			trans	-155.2	160.6	179	-60.5	-173.8	-169.2	173.1	0	109.6	R56 S58 P82 W83 N190	R56-K194 VanDerWaalsContact O-CD 3.23Å; R56-K194 WeakPolarHBondContact O-CD 3.11Å; R56-K194 PolarHBondContact O-NZ 2.98Å; S58-K194 PolarHBondContact OG-NZ 3.17Å; P82-K194 CarbonylContact C-O 3.5Å; P82-K194 VanDerWaalsContact C-O 3.28Å; P82-K194 HydrophobicContact CB-CB 4.16Å; P82-K194 HydrophobicContact CB-CG 4.38Å; P82-K194 HydrophobicContact CG-CB 4.12Å; P82-K194 HydrophobicContact CG-CG 4.49Å; P82-K194 PolarHBondContact O-N 3.4Å; W83-K194 WeakPolarHBondContact CA-O 3.44Å; W83-K194 VanDerWaalsContact CB-O 3.31Å; W83-K194 WeakPolarHBondContact CB-O 3.22Å; W83-K194 PolarHBondContact N-O 2.97Å; N190-K194 WeakPolarHBondContact O-CE 3.2Å; N190-K194 WeakPolarHBondContact O-CG 3.42Å
195	S	97	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-80.8	156.5	170.4	59.7	0	0	0	0	112.5	C54 G55	C54-S195 WeakPolarHBondContact CA-O 3.42Å; G55-S195 PolarHBondContact N-O 2.65Å
196	P	96.4	Very high	93.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-79	160.8	159.3	33	-22	0	0	0	109.2	W83 V97 I98 I297 L306	W83-P196 HydrophobicContact CB-CB 4.22Å; W83-P196 VanDerWaalsContact CB-CD 3.44Å; W83-P196 HydrophobicContact CB-CG 3.89Å; W83-P196 HydrophobicContact CD2-CB 4.16Å; W83-P196 HydrophobicContact CE3-CB 4.26Å; W83-P196 HydrophobicContact CG-CB 4.13Å; W83-P196 HydrophobicContact CG-CG 4.19Å; V97-P196 HydrophobicContact CG1-CG 3.5Å; I98-P196 WeakPolarHBondContact O-CD 3.25Å; P196-I297 HydrophobicContact CB-CG2 4.35Å; P196-L306 HydrophobicContact CB-CB 4.21Å; P196-L306 HydrophobicContact CG-CB 3.91Å
197	C	94.7	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	159.9	168	-64.9	0	0	0	0	110.2	Y49 C54 W304 T305 L306	Y49-C197 WeakPolarHBondContact O-CB 3.42Å; Y49-C197 PolarHBondContact O-SG 2.79Å; C54-C197 HydrophobicContact CB-CB 4.12Å; C54-C197 WeakPolarHBondContact CB-SG 3.33Å; C54-C197 PolarHBondContact O-SG 3.31Å; C54-C197 WeakPolarHBondContact SG-CA 3.17Å; C54-C197 WeakPolarHBondContact SG-CB 3.48Å; C54-C197 CovalentContact SG-SG 2.07Å; C54-C197 PolarHBondContact SG-SG 2.65Å; C197-W304 PolarHBondContact N-O 3.25Å; C197-T305 CarbonylContact O-C 3.58Å; C197-T305 WeakPolarHBondContact O-CA 3.46Å; C197-L306 PolarHBondContact O-N 3.08Å
198	L	92.9	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.9	-177.8	-59	-178.6	0	0	0	110.2	Y49 L99 P100 Q200 L306 W342	Y49-L198 PolarHBondContact N-O 3.23Å; L99-L198 HydrophobicContact CD2-CD2 3.94Å; P100-L198 HydrophobicContact CG-CD1 3.75Å; P100-L198 HydrophobicContact CG-CD2 4.49Å; P100-L198 HydrophobicContact CG-CG 3.82Å; L198-Q200 PolarHBondContact O-N 3.21Å; L198-L306 HydrophobicContact CD2-CB 4.25Å; L198-L306 HydrophobicContact CD2-CD2 4.11Å; L198-W342 HydrophobicContact CB-CD2 4.43Å; L198-W342 HydrophobicContact CB-CG 4.07Å; L198-W342 HydrophobicContact CD1-CB 4.34Å; L198-W342 HydrophobicContact CD1-CD2 3.47Å; L198-W342 VanDerWaalsContact CD1-CD2 3.47Å; L198-W342 HydrophobicContact CD1-CE3 3.86Å; L198-W342 HydrophobicContact CD1-CG 3.72Å; L198-W342 HydrophobicContact CD1-CH2 4.22Å; L198-W342 HydrophobicContact CD1-CZ2 3.98Å; L198-W342 HydrophobicContact CD1-CZ3 4.21Å
199	S	88.4	Confident	92.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	22%	0.215	C	C	.	.			trans	-61.4	130.4	174.5	178.2	0	0	0	0	109.9	N201 T305 L306 Y307 W343	S199-N201 VanDerWaalsContact C-N 3.35Å; S199-N201 PolarHBondContact OG-N 3.01Å; S199-N201 PolarHBondContact OG-O 3.33Å; S199-T305 VanDerWaalsContact N-CG2 3.33Å; S199-L306 PolarHBondContact N-O 2.82Å; S199-Y307 WeakPolarHBondContact OG-CE1 3.41Å; S199-W343 WeakPolarHBondContact O-CZ3 3.21Å
200	Q	80.7	Confident	92.2	Very high	41 Å²	41	43.5 Å²	43.5	19%	0.192	21%	0.211	C	C	.	.			trans	-93.8	8.5	165.9	-68.1	-171.4	-3.5	0	0	112.6	S46 E47 L198 W342 W343	S46-Q200 PolarHBondContact OG-O 3.16Å; E47-Q200 PolarHBondContact O-OE1 2.92Å; L198-Q200 PolarHBondContact O-N 3.21Å; Q200-W342 PolarHBondContact NE2-O 2.68Å; Q200-W343 HydrophobicContact CB-CE3 4.36Å; Q200-W343 HydrophobicContact CB-CZ3 4.39Å; Q200-W343 WeakPolarHBondContact O-CH2 3.31Å; Q200-W343 WeakPolarHBondContact O-CZ2 2.92Å; Q200-W343 WeakPolarHBondContact O-CZ3 3.38Å
201	N	77.7	Confident	92.1	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	20%	0.196	S	C	.	.			trans	-123.8	131	-178.2	-157.2	-24.4	0	0	0	111.4	S46 S199 Y203 A328	S46-N201 WeakPolarHBondContact OG-CB 3.23Å; S199-N201 VanDerWaalsContact C-N 3.35Å; S199-N201 PolarHBondContact OG-N 3.01Å; S199-N201 PolarHBondContact OG-O 3.33Å; N201-Y203 PolarHBondContact O-N 2.98Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.08Å; N201-Y203 PolarHBondContact OD1-N 3.48Å; N201-A328 WeakPolarHBondContact O-CB 2.98Å
202	N	80.9	Confident	91.9	Very high	77 Å²	77	37.2 Å²	37.2	41%	0.412	18%	0.177	S	C	.	.	S	Bend	trans	-71.6	-18.9	170	-78.2	-35	0	0	0	112.4	K326 A328 S329	N202-K326 WeakPolarHBondContact O-CD 3.42Å; N202-A328 VanDerWaalsContact OD1-C 3.28Å; N202-A328 WeakPolarHBondContact OD1-CB 3.4Å; N202-S329 PolarHBondContact OD1-N 3.46Å
203	Y	87.5	Confident	91.8	Very high	133 Å²	133	35.7 Å²	35.7	52%	0.522	17%	0.172	S	C	.	.			trans	-99.1	118.9	-179.8	-172.6	-108.7	0	0	0	111.4	N201 P205 P206	N201-Y203 PolarHBondContact O-N 2.98Å; N201-Y203 WeakPolarHBondContact OD1-CB 3.08Å; N201-Y203 PolarHBondContact OD1-N 3.48Å; Y203-P205 HydrophobicContact CD1-CG 4.12Å; Y203-P205 HydrophobicContact CE1-CB 4Å; Y203-P205 HydrophobicContact CE1-CG 3.69Å; Y203-P206 WeakPolarHBondContact OH-CD 3.34Å
204	L	92.3	Very high	91.7	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.175	C	C	.	.			trans	-113.2	112.8	166.6	178.3	65	0	0	0	107.3	T208 R256 I276 Y307	L204-T208 HydrophobicContact CD1-CG2 3.62Å; L204-T208 HydrophobicContact CG-CG2 4.45Å; L204-R256 HydrophobicContact CD2-CB 4.24Å; L204-R256 HydrophobicContact CD2-CG 4.2Å; L204-R256 HydrophobicContact CG-CB 4.45Å; L204-R256 HydrophobicContact CG-CG 4.21Å; L204-I276 HydrophobicContact CB-CD1 4.44Å; L204-I276 HydrophobicContact CD2-CD1 4.43Å; L204-Y307 HydrophobicContact CB-CD1 3.92Å; L204-Y307 HydrophobicContact CB-CE1 4.08Å; L204-Y307 HydrophobicContact CD1-CD1 3.91Å; L204-Y307 HydrophobicContact CD1-CD2 4.38Å; L204-Y307 HydrophobicContact CD1-CE1 3.72Å; L204-Y307 HydrophobicContact CD1-CE2 4.2Å; L204-Y307 HydrophobicContact CD1-CG 4.22Å; L204-Y307 HydrophobicContact CD2-CD1 4.06Å; L204-Y307 HydrophobicContact CD2-CG 4.07Å; L204-Y307 HydrophobicContact CG-CD1 4.18Å; L204-Y307 HydrophobicContact CG-CE1 4.36Å
205	P	93.8	Very high	91.5	Very high	59 Å²	59	35.1 Å²	35.1	38%	0.383	17%	0.171	S	C	.	.			trans	-55.2	141	-174.9	-25	30.5	0	0	0	112.6	Y203 T208 R256	Y203-P205 HydrophobicContact CD1-CG 4.12Å; Y203-P205 HydrophobicContact CE1-CB 4Å; Y203-P205 HydrophobicContact CE1-CG 3.69Å; P205-T208 VanDerWaalsContact O-CB 3.28Å; P205-T208 WeakPolarHBondContact O-CB 3.34Å; P205-T208 PolarHBondContact O-N 3.04Å; P205-T208 PolarHBondContact O-OG1 3Å; P205-R256 WeakPolarHBondContact O-CG 3.35Å
206	P	94.2	Very high	91.2	Very high	54 Å²	54	35.2 Å²	35.2	35%	0.351	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	147.7	168.9	-26.1	35.2	0	0	0	111.2	Y203 T208	Y203-P206 WeakPolarHBondContact OH-CD 3.34Å; P206-T208 PolarHBondContact O-N 2.85Å
207	R	93.1	Very high	90.6	Very high	162 Å²	162	35.4 Å²	35.4	61%	0.611	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	-2.8	-177.3	-50.4	-69.5	-68.3	175	-10	115.6	K209 R256	R207-K209 PolarHBondContact O-N 3.14Å; R207-R256 PolarHBondContact N-O 3.09Å
208	T	93.2	Very high	89.9	Confident	37 Å²	37	38.3 Å²	38.3	23%	0.227	19%	0.188	C	C	.	.			trans	-52.9	131	169.8	-56.6	0	0	0	0	109.8	L204 P205 P206 K255 R256 C298	L204-T208 HydrophobicContact CD1-CG2 3.62Å; L204-T208 HydrophobicContact CG-CG2 4.45Å; P205-T208 VanDerWaalsContact O-CB 3.28Å; P205-T208 WeakPolarHBondContact O-CB 3.34Å; P205-T208 PolarHBondContact O-N 3.04Å; P205-T208 PolarHBondContact O-OG1 3Å; P206-T208 PolarHBondContact O-N 2.85Å; T208-K255 WeakPolarHBondContact O-CA 3.3Å; T208-R256 PolarHBondContact O-N 2.75Å; T208-C298 HydrophobicContact CG2-CB 4.38Å
209	K	92.5	Very high	88.9	Confident	73 Å²	73	42.2 Å²	42.2	32%	0.317	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.4	-179.5	-66.9	175.4	-178.8	173.9	0	108.2	I65 R207 K255	I65-K209 HydrophobicContact CG2-CB 3.75Å; I65-K209 HydrophobicContact CG2-CD 3.35Å; I65-K209 HydrophobicContact CG2-CG 4.2Å; I65-K209 WeakPolarHBondContact O-CD 3.43Å; I65-K209 PolarHBondContact O-NZ 3.13Å; R207-K209 PolarHBondContact O-N 3.14Å; K209-K255 HydrophobicContact CG-CG 4.13Å
210	C	93.7	Very high	87.8	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.02	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	171.2	-178.5	-55	0	0	0	0	108.9	G253 V254 L296 I297 C298	C210-G253 WeakPolarHBondContact O-CA 3.43Å; C210-V254 HydrophobicContact CB-CG2 4.15Å; C210-V254 PolarHBondContact N-O 2.69Å; C210-V254 PolarHBondContact O-N 3.35Å; C210-L296 HydrophobicContact CB-CD1 3.65Å; C210-L296 HydrophobicContact CB-CG 4.26Å; C210-I297 CarbonylContact C-O 3.54Å; C210-I297 WeakPolarHBondContact CA-O 3.35Å; C210-I297 WeakPolarHBondContact CB-O 3.4Å; C210-C298 HydrophobicContact CB-CB 4.04Å; C210-C298 WeakPolarHBondContact CB-SG 3.03Å; C210-C298 WeakPolarHBondContact SG-CB 3.38Å; C210-C298 CovalentContact SG-SG 2.04Å; C210-C298 PolarHBondContact SG-SG 3.33Å
211	L	93.9	Very high	86.9	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	174.3	-58.5	172.3	0	0	0	109.8	I61 A63 S252 I297 W304	I61-L211 HydrophobicContact CG2-CD1 3.53Å; A63-L211 HydrophobicContact CB-CD1 3.77Å; A63-L211 HydrophobicContact CB-CD2 4.11Å; A63-L211 HydrophobicContact CB-CG 4.4Å; L211-S252 WeakPolarHBondContact CA-O 3.44Å; L211-I297 HydrophobicContact CB-CD1 4.29Å; L211-I297 HydrophobicContact CB-CG1 4.08Å; L211-I297 HydrophobicContact CD1-CD1 4.39Å; L211-I297 PolarHBondContact N-O 2.87Å; L211-I297 PolarHBondContact O-N 2.98Å; L211-W304 HydrophobicContact CD1-CE3 4.43Å; L211-W304 HydrophobicContact CD1-CH2 3.47Å; L211-W304 VanDerWaalsContact CD1-CH2 3.47Å; L211-W304 HydrophobicContact CD1-CZ2 4.37Å; L211-W304 HydrophobicContact CD1-CZ3 3.52Å; L211-W304 HydrophobicContact CG-CH2 4.3Å; L211-W304 HydrophobicContact CG-CZ3 4.07Å
212	V	94.2	Very high	86.1	Confident	9 Å²	9	40.1 Å²	40.1	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.8	159.5	-63.8	0	0	0	0	108.2	E251 S252 V254 V287 P295 L296 F324	V212-E251 CarbonylContact O-C 3.48Å; V212-E251 VanDerWaalsContact O-CA 3.31Å; V212-E251 WeakPolarHBondContact O-CA 3.4Å; V212-S252 PolarHBondContact N-O 3.42Å; V212-S252 PolarHBondContact O-N 3.08Å; V212-V254 HydrophobicContact CG1-CG2 4.15Å; V212-V254 HydrophobicContact CG2-CG1 4.14Å; V212-V287 HydrophobicContact CB-CG1 4.12Å; V212-V287 HydrophobicContact CG1-CG1 4.13Å; V212-V287 HydrophobicContact CG2-CG1 4.21Å; V212-P295 WeakPolarHBondContact CA-O 3.34Å; V212-L296 HydrophobicContact CG1-CD1 3.9Å; V212-F324 HydrophobicContact CG1-CE1 3.68Å; V212-F324 HydrophobicContact CG1-CZ 3.68Å
213	S	95	Very high	85.1	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.7	176.5	49.3	0	0	0	0	110.8	H81 I84 M250	H81-S213 PolarHBondContact CE1-OG 2.92Å; H81-S213 WeakPolarHBondContact ND1-CB 3.26Å; H81-S213 PolarHBondContact ND1-OG 2.85Å; I84-S213 VanDerWaalsContact CD1-O 3.31Å; I84-S213 WeakPolarHBondContact CD1-O 3.47Å; S213-M250 WeakPolarHBondContact CA-O 3.44Å; S213-M250 WeakPolarHBondContact CB-O 3.36Å
214	G	95.7	Very high	83.5	Confident	5 Å²	5	37.2 Å²	37.2	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	175.3	180	0	0	0	0	0	113.3	M250	G214-M250 PolarHBondContact N-O 3.26Å; G214-M250 PolarHBondContact O-N 2.78Å
215	W	94.9	Very high	81.5	Confident	11 Å²	11	38.5 Å²	38.5	4%	0.042	19%	0.189	C	C	.	.	S	Bend	trans	-103.7	19.8	172.2	-63.1	-92.2	0	0	0	111.4	I84 F86 A148 H149 L151 M245 T247 L249	I84-W215 HydrophobicContact CD1-CZ3 4.06Å; I84-W215 HydrophobicContact CG1-CZ3 4.12Å; I84-W215 HydrophobicContact CG2-CH2 3.75Å; I84-W215 HydrophobicContact CG2-CZ3 3.98Å; F86-W215 HydrophobicContact CB-CE3 4.13Å; F86-W215 HydrophobicContact CB-CH2 4.46Å; F86-W215 HydrophobicContact CB-CZ3 3.96Å; F86-W215 HydrophobicContact CD2-CE3 4.19Å; A148-W215 WeakPolarHBondContact O-CZ2 2.98Å; H149-W215 PolarHBondContact O-NE1 3.32Å; L151-W215 HydrophobicContact CD1-CB 3.91Å; L151-W215 HydrophobicContact CD1-CD2 3.87Å; L151-W215 HydrophobicContact CD1-CG 3.51Å; L151-W215 HydrophobicContact CD2-CZ2 4.44Å; L151-W215 HydrophobicContact CG-CD2 4.24Å; L151-W215 HydrophobicContact CG-CG 4.12Å; W215-M245 WeakPolarHBondContact O-CE 3.4Å; W215-T247 PolarHBondContact NE1-O 2.84Å; W215-L249 HydrophobicContact CD2-CD1 3.88Å; W215-L249 HydrophobicContact CE3-CD1 3.95Å; W215-L249 HydrophobicContact CH2-CD1 3.86Å; W215-L249 HydrophobicContact CZ2-CB 3.96Å; W215-L249 HydrophobicContact CZ2-CD1 3.75Å; W215-L249 HydrophobicContact CZ2-CG 4.31Å; W215-L249 HydrophobicContact CZ3-CD1 3.94Å
216	G	90.5	Very high	79.1	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.031	20%	0.199	C	C	.	.			trans	-67.8	172.1	176.7	0	0	0	0	0	113.4	I218 P246 N289 D291	G216-I218 PolarHBondContact O-N 3.44Å; G216-P246 WeakPolarHBondContact O-CD 3.08Å; G216-P246 WeakPolarHBondContact O-CG 3.44Å; G216-N289 CarbonylContact C-O 3.57Å; G216-N289 WeakPolarHBondContact CA-O 3.23Å; G216-D291 WeakPolarHBondContact CA-OD1 3.36Å; G216-D291 PolarHBondContact N-OD1 2.82Å
217	A	83.7	Confident	76.7	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.033	22%	0.222	C	C	.	.			trans	-60.6	128.1	-175	0	0	0	0	0	112	L243 Q244 M245 N288 N289	A217-L243 HydrophobicContact CB-CB 4.07Å; A217-L243 HydrophobicContact CB-CD2 3.68Å; A217-L243 HydrophobicContact CB-CG 4.34Å; A217-Q244 CarbonylContact C-O 3.46Å; A217-Q244 VanDerWaalsContact CA-O 3.31Å; A217-Q244 WeakPolarHBondContact CA-O 3.02Å; A217-M245 HydrophobicContact CB-SD 3.72Å; A217-N288 HydrophobicContact CB-CB 4.34Å; A217-N288 WeakPolarHBondContact O-CB 3.39Å; A217-N288 VanDerWaalsContact O-CG 3.23Å; A217-N288 PolarHBondContact O-ND2 3.08Å; A217-N289 HydrophobicContact CB-CB 4.25Å; A217-N289 PolarHBondContact N-O 3.4Å
218	I	78.4	Confident	74.2	Confident	60 Å²	60	45 Å²	45	31%	0.308	23%	0.23	S	C	.	.	S	Bend	trans	-83.3	-30	174.6	55.3	168.2	0	0	0	111.6	G216 R224 Q244 P246 M250	G216-I218 PolarHBondContact O-N 3.44Å; I218-R224 PolarHBondContact O-NH1 2.93Å; I218-Q244 HydrophobicContact CD1-CG 4.1Å; I218-Q244 HydrophobicContact CG1-CB 4.11Å; I218-Q244 HydrophobicContact CG1-CG 3.98Å; I218-Q244 WeakPolarHBondContact CG1-O 3.33Å; I218-Q244 PolarHBondContact N-O 2.86Å; I218-P246 HydrophobicContact CG2-CB 4.31Å; I218-P246 HydrophobicContact CG2-CG 3.97Å; I218-M250 HydrophobicContact CG2-CE 4.07Å; I218-M250 HydrophobicContact CG2-CG 3.82Å
219	E	72.2	Confident	71.8	Confident	82 Å²	82	47 Å²	47	38%	0.383	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-137.9	162.8	177.3	-50.9	-141.2	134.1	0	0	112	R224 Q244	E219-R224 IonicContact OE1-CZ 2.71Å; E219-R224 IonicContact OE1-NH1 3.63Å; E219-R224 PolarHBondContact OE1-NH1 2.92Å; E219-R224 IonicContact OE1-NH2 3.66Å; E219-R224 PolarHBondContact OE1-NH2 3.18Å; E219-Q244 HydrophobicContact CB-CB 3.92Å; E219-Q244 VanDerWaalsContact CG-OE1 3.3Å; E219-Q244 PolarHBondContact O-N 2.82Å
220	G	64.8	Low	69.6	Low	8 Å²	8	52.1 Å²	52.1	8%	0.082	26%	0.264	C	S	.	.			trans	72.2	-163.5	179.8	0	0	0	0	0	114.3
221	G	61.9	Low	67.1	Low	2 Å²	2	59.7 Å²	59.7	2%	0.021	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-173	-179.6	0	0	0	0	0	113.7	Y223 P241	G221-Y223 VanDerWaalsContact C-N 3.29Å; G221-Y223 PolarHBondContact O-N 3.14Å; G221-P241 PolarHBondContact N-O 2.91Å
222	V	62	Low	64.6	Low	47 Å²	47	62.6 Å²	62.6	29%	0.285	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.5	-176.7	-71.4	0	0	0	0	111.7	V240 F315	V222-V240 HydrophobicContact CG1-CG1 4.27Å; V222-V240 HydrophobicContact CG1-CG2 4.27Å; V222-F315 HydrophobicContact CB-CD1 4.33Å; V222-F315 HydrophobicContact CB-CE1 3.44Å; V222-F315 VanDerWaalsContact CB-CE1 3.44Å; V222-F315 HydrophobicContact CB-CZ 3.7Å; V222-F315 HydrophobicContact CG2-CE1 3.45Å; V222-F315 VanDerWaalsContact CG2-CE1 3.45Å; V222-F315 HydrophobicContact CG2-CZ 3.37Å; V222-F315 WeakPolarHBondContact O-CD1 3.47Å; V222-F315 WeakPolarHBondContact O-CE1 3.34Å
223	Y	59.6	Low	62.1	Low	36 Å²	36	65.8 Å²	65.8	14%	0.141	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-30.9	-170.9	-61.8	-69.9	0	0	0	113.4	G221 N288 N289 R313 F315 R320	G221-Y223 VanDerWaalsContact C-N 3.29Å; G221-Y223 PolarHBondContact O-N 3.14Å; Y223-N288 WeakPolarHBondContact CB-OD1 3.49Å; Y223-N288 WeakPolarHBondContact CD2-OD1 3.39Å; Y223-N289 WeakPolarHBondContact CD2-OD1 3.48Å; Y223-R313 HydrophobicContact CD1-CB 3.53Å; Y223-R313 HydrophobicContact CD1-CG 3.79Å; Y223-R313 HydrophobicContact CE1-CB 3.53Å; Y223-R313 HydrophobicContact CE1-CG 4.27Å; Y223-R313 VanDerWaalsContact CE1-O 3.25Å; Y223-R313 WeakPolarHBondContact CE1-O 3.48Å; Y223-R313 HydrophobicContact CG-CB 4.42Å; Y223-F315 AromaticContact CD1-CD1 3.75Å; Y223-F315 HydrophobicContact CD1-CD1 3.75Å; Y223-F315 AromaticContact CD1-CE1 2.96Å; Y223-F315 HydrophobicContact CD1-CE1 2.96Å; Y223-F315 HydrophobicContact CD1-CE2 4.36Å; Y223-F315 AromaticContact CD1-CZ 3.37Å; Y223-F315 HydrophobicContact CD1-CZ 3.37Å; Y223-F315 HydrophobicContact CD2-CE1 4.27Å; Y223-F315 HydrophobicContact CD2-CZ 4.49Å; Y223-F315 HydrophobicContact CE1-CD1 4.14Å; Y223-F315 AromaticContact CE1-CE1 3.17Å; Y223-F315 HydrophobicContact CE1-CE1 3.17Å; Y223-F315 AromaticContact CE1-CE2 3.77Å; Y223-F315 HydrophobicContact CE1-CE2 3.77Å; Y223-F315 AromaticContact CE1-CZ 2.95Å; Y223-F315 HydrophobicContact CE1-CZ 2.95Å; Y223-F315 HydrophobicContact CE2-CE1 4.47Å; Y223-F315 HydrophobicContact CE2-CZ 4.25Å; Y223-F315 HydrophobicContact CG-CD1 4.49Å; Y223-F315 AromaticContact CG-CE1 3.58Å; Y223-F315 HydrophobicContact CG-CE1 3.58Å; Y223-F315 HydrophobicContact CG-CZ 4.13Å; Y223-F315 AromaticContact CZ-CE1 3.97Å; Y223-F315 AromaticContact CZ-CZ 3.49Å; Y223-F315 VanDerWaalsContact CZ-CZ 3.49Å; Y223-R320 PolarHBondContact O-NE 3.38Å
224	R	54.6	Low	59.9	Low	112 Å²	112	71.1 Å²	71.1	42%	0.423	37%	0.372	S	S	.	.	S	Bend	trans	-112.7	60.2	180	-164.5	170.5	171.8	-162.4	-15.6	111	I218 E219	I218-R224 PolarHBondContact O-NH1 2.93Å; E219-R224 IonicContact OE1-CZ 2.71Å; E219-R224 IonicContact OE1-NH1 3.63Å; E219-R224 PolarHBondContact OE1-NH1 2.92Å; E219-R224 IonicContact OE1-NH2 3.66Å; E219-R224 PolarHBondContact OE1-NH2 3.18Å
225	Q	50.4	Low	57.5	Low	33 Å²	33	76.2 Å²	76.2	15%	0.154	40%	0.402	C	S	.	.			trans	-78.1	142.6	165.7	-83.5	-167.3	-16	0	0	112.3	L229	Q225-L229 HydrophobicContact CB-CD1 4.36Å
226	I	43.2	Very low	55.1	Low	113 Å²	113	81.6 Å²	81.6	58%	0.579	43%	0.427	S	S	*	.			trans	-48.8	134.4	-167.5	-55.4	170.8	0	0	0	110.3	K228 L229	I226-K228 HydrophobicContact CG2-CB 4.19Å; I226-K228 PolarHBondContact O-N 2.82Å; I226-L229 PolarHBondContact O-N 3.33Å
227	S	43.5	Very low	53.3	Low	119 Å²	119	84.9 Å²	84.9	83%	0.832	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	14	178.7	51.8	0	0	0	0	115.9
228	K	39.8	Very low	52	Low	180 Å²	180	89.9 Å²	89.9	78%	0.783	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	3.9	-175.2	-74.8	-171.5	173	-176.6	0	115	I226 Q230	I226-K228 HydrophobicContact CG2-CB 4.19Å; I226-K228 PolarHBondContact O-N 2.82Å; K228-Q230 PolarHBondContact O-N 3.17Å
229	L	42.8	Very low	51.2	Low	79 Å²	79	94.6 Å²	94.6	41%	0.414	49%	0.494	S	S	.	.			trans	-88.8	38.9	175.8	-61.6	170.2	0	0	0	112.3	Q225 I226 N231 V232	Q225-L229 HydrophobicContact CB-CD1 4.36Å; I226-L229 PolarHBondContact O-N 3.33Å; L229-N231 PolarHBondContact O-N 3.16Å; L229-N231 VanDerWaalsContact O-N 3.08Å; L229-V232 HydrophobicContact CB-CB 4.17Å; L229-V232 HydrophobicContact CD2-CB 3.5Å; L229-V232 VanDerWaalsContact CD2-CB 3.5Å; L229-V232 HydrophobicContact CD2-CG1 3.94Å; L229-V232 HydrophobicContact CD2-CG2 3.47Å; L229-V232 VanDerWaalsContact CD2-CG2 3.47Å; L229-V232 HydrophobicContact CG-CB 4.36Å
230	Q	46	Very low	50.9	Low	180 Å²	180	94 Å²	94	84%	0.841	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19	176.2	-86.8	-178.2	-30.1	0	0	112.9	K228	K228-Q230 PolarHBondContact O-N 3.17Å
231	N	42.3	Very low	51.2	Low	161 Å²	161	95.4 Å²	95.4	86%	0.861	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	19.8	-178.1	-67.2	-22.8	0	0	0	114.5	L229	L229-N231 PolarHBondContact O-N 3.16Å; L229-N231 VanDerWaalsContact O-N 3.08Å
232	V	40.2	Very low	52	Low	66 Å²	66	101 Å²	101	40%	0.4	54%	0.539	S	S	.	.			trans	-107.5	115.9	-179.9	-179.5	0	0	0	0	109.6	L229 L234 H236	L229-V232 HydrophobicContact CB-CB 4.17Å; L229-V232 HydrophobicContact CD2-CB 3.5Å; L229-V232 VanDerWaalsContact CD2-CB 3.5Å; L229-V232 HydrophobicContact CD2-CG1 3.94Å; L229-V232 HydrophobicContact CD2-CG2 3.47Å; L229-V232 VanDerWaalsContact CD2-CG2 3.47Å; L229-V232 HydrophobicContact CG-CB 4.36Å; V232-L234 PolarHBondContact O-N 3.32Å; V232-H236 HydrophobicContact CG1-CB 3.48Å; V232-H236 VanDerWaalsContact CG1-CB 3.48Å
233	S	42	Very low	53	Low	75 Å²	75	101.8 Å²	101.8	52%	0.524	54%	0.542	S	S	.	.			trans	-48.6	135.1	169.6	-177.5	0	0	0	0	110	T235 H236	S233-T235 PolarHBondContact O-N 3.05Å; S233-T235 PolarHBondContact OG-OG1 3.28Å; S233-T235 VanDerWaalsContact OG-OG1 3.14Å; S233-H236 PolarHBondContact O-N 3.38Å
234	L	49.4	Very low	54.2	Low	118 Å²	118	104.8 Å²	104.8	62%	0.618	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-52.1	-12.3	176.3	-76.1	161.2	0	0	0	113.6	V232 H236 L237	V232-L234 PolarHBondContact O-N 3.32Å; L234-H236 PolarHBondContact O-N 2.83Å; L234-L237 HydrophobicContact CD2-CD1 4.45Å; L234-L237 WeakPolarHBondContact O-CD1 3.23Å; L234-L237 VanDerWaalsContact O-CG 3.26Å; L234-L237 WeakPolarHBondContact O-CG 3.44Å
235	T	46.3	Very low	55.7	Low	111 Å²	111	102.6 Å²	102.6	68%	0.681	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-69	-15.5	172.6	58.3	0	0	0	0	114	S233	S233-T235 PolarHBondContact O-N 3.05Å; S233-T235 PolarHBondContact OG-OG1 3.28Å; S233-T235 VanDerWaalsContact OG-OG1 3.14Å
236	H	44.6	Very low	57.7	Low	125 Å²	125	102 Å²	102	58%	0.579	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-101.4	34.2	177	-85.4	77.7	0	0	0	113.3	V232 S233 L234 T238	V232-H236 HydrophobicContact CG1-CB 3.48Å; V232-H236 VanDerWaalsContact CG1-CB 3.48Å; S233-H236 PolarHBondContact O-N 3.38Å; L234-H236 PolarHBondContact O-N 2.83Å; H236-T238 PolarHBondContact O-N 2.64Å
237	L	52	Low	60.1	Low	72 Å²	72	100.3 Å²	100.3	38%	0.377	55%	0.547	S	S	.	.			trans	-69.5	31.9	164.6	-67.2	171.5	0	0	0	112.4	L234 H239	L234-L237 HydrophobicContact CD2-CD1 4.45Å; L234-L237 WeakPolarHBondContact O-CD1 3.23Å; L234-L237 VanDerWaalsContact O-CG 3.26Å; L234-L237 WeakPolarHBondContact O-CG 3.44Å; L237-H239 PolarHBondContact O-N 3.23Å; L237-H239 VanDerWaalsContact O-N 3.12Å
238	T	55.1	Low	62.7	Low	108 Å²	108	100.1 Å²	100.1	66%	0.663	53%	0.528	S	S	*	.			trans	-66.1	-16.6	-174.8	54.7	0	0	0	0	112.9	H236	H236-T238 PolarHBondContact O-N 2.64Å
239	H	62.6	Low	65.3	Low	160 Å²	160	91.7 Å²	91.7	74%	0.741	49%	0.491	S	S	*	.			trans	-131.3	94.6	171.1	-78.8	83.6	0	0	0	110.8	L237 P241	L237-H239 PolarHBondContact O-N 3.23Å; L237-H239 VanDerWaalsContact O-N 3.12Å; H239-P241 WeakPolarHBondContact O-CD 3.27Å
240	V	66.1	Low	67.8	Low	69 Å²	69	89.9 Å²	89.9	42%	0.418	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-74.3	119	160.8	179.6	0	0	0	0	106.9	V222	V222-V240 HydrophobicContact CG1-CG1 4.27Å; V222-V240 HydrophobicContact CG1-CG2 4.27Å
241	P	71.7	Confident	70	Confident	37 Å²	37	81.5 Å²	81.5	24%	0.24	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-60.9	144.6	177.5	-19.3	30.9	0	0	0	110.5	G221 H239	G221-P241 PolarHBondContact N-O 2.91Å; H239-P241 WeakPolarHBondContact O-CD 3.27Å
242	P	78.2	Confident	72.3	Confident	119 Å²	119	74.2 Å²	74.2	77%	0.773	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-57.7	144.1	179.2	25.5	-34.3	0	0	0	110.7	Q244	P242-Q244 PolarHBondContact O-N 2.83Å
243	L	82.1	Confident	74.7	Confident	64 Å²	64	71.7 Å²	71.7	34%	0.335	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-69	127.5	176.8	-61.1	177.1	0	0	0	109.7	A217 M245 N289	A217-L243 HydrophobicContact CB-CB 4.07Å; A217-L243 HydrophobicContact CB-CD2 3.68Å; A217-L243 HydrophobicContact CB-CG 4.34Å; L243-M245 HydrophobicContact CB-CG 4.4Å; L243-M245 HydrophobicContact CB-SD 4.15Å; L243-M245 HydrophobicContact CD1-SD 4.49Å; L243-N289 HydrophobicContact CD1-CB 3.86Å; L243-N289 HydrophobicContact CD2-CB 3.81Å
244	Q	84.6	Confident	77.1	Confident	99 Å²	99	68.1 Å²	68.1	46%	0.463	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-92.2	110.7	164.5	-171.1	177.9	19.7	0	0	108.6	A217 I218 E219 P242	A217-Q244 CarbonylContact C-O 3.46Å; A217-Q244 VanDerWaalsContact CA-O 3.31Å; A217-Q244 WeakPolarHBondContact CA-O 3.02Å; I218-Q244 HydrophobicContact CD1-CG 4.1Å; I218-Q244 HydrophobicContact CG1-CB 4.11Å; I218-Q244 HydrophobicContact CG1-CG 3.98Å; I218-Q244 WeakPolarHBondContact CG1-O 3.33Å; I218-Q244 PolarHBondContact N-O 2.86Å; E219-Q244 HydrophobicContact CB-CB 3.92Å; E219-Q244 VanDerWaalsContact CG-OE1 3.3Å; E219-Q244 PolarHBondContact O-N 2.82Å; P242-Q244 PolarHBondContact O-N 2.83Å
245	M	87.7	Confident	79.1	Confident	66 Å²	66	63.6 Å²	63.6	33%	0.325	34%	0.341	S	S	.	.			trans	-97.2	130.9	-179.1	-61.1	-59.3	-69.1	0	0	110.5	W215 A217 L243 H290	W215-M245 WeakPolarHBondContact O-CE 3.4Å; A217-M245 HydrophobicContact CB-SD 3.72Å; L243-M245 HydrophobicContact CB-CG 4.4Å; L243-M245 HydrophobicContact CB-SD 4.15Å; L243-M245 HydrophobicContact CD1-SD 4.49Å; M245-H290 HydrophobicContact CE-CB 3.94Å; M245-H290 VanDerWaalsContact CE-CD2 3.42Å; M245-H290 WeakPolarHBondContact CE-CD2 3.5Å
246	P	92.1	Very high	81.4	Confident	22 Å²	22	58.7 Å²	58.7	14%	0.143	31%	0.31	C	S	.	.			trans	-79.3	150.8	168.7	36.2	-35.3	0	0	0	110.1	G216 I218 R248 M250	G216-P246 WeakPolarHBondContact O-CD 3.08Å; G216-P246 WeakPolarHBondContact O-CG 3.44Å; I218-P246 HydrophobicContact CG2-CB 4.31Å; I218-P246 HydrophobicContact CG2-CG 3.97Å; P246-R248 WeakPolarHBondContact CB-O 3.29Å; P246-M250 HydrophobicContact CB-CG 3.85Å; P246-M250 HydrophobicContact CB-SD 4.13Å; P246-M250 HydrophobicContact CG-CG 3.64Å
247	T	94	Very high	83.9	Confident	77 Å²	77	54.6 Å²	54.6	47%	0.472	29%	0.291	S	S	.	.	S	Bend	trans	-86.9	-27	164.3	64.3	0	0	0	0	111.6	D150 L151 W215	D150-T247 WeakPolarHBondContact CA-O 3.36Å; D150-T247 WeakPolarHBondContact OD1-CB 3.25Å; D150-T247 PolarHBondContact OD1-OG1 3.19Å; L151-T247 PolarHBondContact N-O 3.16Å; W215-T247 PolarHBondContact NE1-O 2.84Å
248	R	96.6	Very high	86	Confident	115 Å²	115	53.3 Å²	53.3	43%	0.434	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-91.2	149.8	-179.7	-60.9	-174.1	-175.2	165.5	-2.6	112.1	E75 H149 D150 P246 M250	E75-R248 HydrophobicContact CG-CB 4.05Å; E75-R248 WeakPolarHBondContact OE1-CD 3.39Å; E75-R248 IonicContact OE1-NH1 3.63Å; E75-R248 WeakPolarHBondContact OE2-CD 3.36Å; E75-R248 IonicContact OE2-NH1 3.11Å; E75-R248 PolarHBondContact OE2-NH1 2.96Å; E75-R248 VanDerWaalsContact OE2-NH1 3.11Å; H149-R248 CarbonylContact O-C 3.54Å; H149-R248 WeakPolarHBondContact O-CA 3.17Å; D150-R248 HydrophobicContact CB-CG 4.01Å; D150-R248 WeakPolarHBondContact OD2-CG 2.98Å; D150-R248 IonicContact OD2-NE 3.24Å; D150-R248 PolarHBondContact OD2-NE 2.9Å; P246-R248 WeakPolarHBondContact CB-O 3.29Å; R248-M250 PolarHBondContact O-N 2.94Å
249	L	96.1	Very high	87.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	27%	0.269	C	S	.	.			trans	-63.9	128.5	178.8	-177	67.5	0	0	0	110.5	A76 H81 I84 H149 W215	A76-L249 HydrophobicContact CB-CB 4.37Å; A76-L249 HydrophobicContact CB-CD2 4.07Å; A76-L249 HydrophobicContact CB-CG 4.1Å; A76-L249 PolarHBondContact N-O 3.05Å; H81-L249 HydrophobicContact CB-CD2 3.83Å; I84-L249 HydrophobicContact CD1-CD1 4.08Å; I84-L249 HydrophobicContact CG2-CD1 4.24Å; I84-L249 HydrophobicContact CG2-CD2 4.13Å; H149-L249 PolarHBondContact O-N 3.26Å; W215-L249 HydrophobicContact CD2-CD1 3.88Å; W215-L249 HydrophobicContact CE3-CD1 3.95Å; W215-L249 HydrophobicContact CH2-CD1 3.86Å; W215-L249 HydrophobicContact CZ2-CB 3.96Å; W215-L249 HydrophobicContact CZ2-CD1 3.75Å; W215-L249 HydrophobicContact CZ2-CG 4.31Å; W215-L249 HydrophobicContact CZ3-CD1 3.94Å
250	M	94.6	Very high	89.5	Confident	41 Å²	41	51.6 Å²	51.6	20%	0.202	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.1	175.7	-54.8	-57.6	-71.5	0	0	110.2	H74 E75 S213 G214 I218 P246 R248	H74-M250 CarbonylContact O-C 3.58Å; H74-M250 WeakPolarHBondContact O-CA 3.2Å; E75-M250 HydrophobicContact CB-SD 4.18Å; E75-M250 VanDerWaalsContact N-CE 3.33Å; S213-M250 WeakPolarHBondContact CA-O 3.44Å; S213-M250 WeakPolarHBondContact CB-O 3.36Å; G214-M250 PolarHBondContact N-O 3.26Å; G214-M250 PolarHBondContact O-N 2.78Å; I218-M250 HydrophobicContact CG2-CE 4.07Å; I218-M250 HydrophobicContact CG2-CG 3.82Å; P246-M250 HydrophobicContact CB-CG 3.85Å; P246-M250 HydrophobicContact CB-SD 4.13Å; P246-M250 HydrophobicContact CG-CG 3.64Å; R248-M250 PolarHBondContact O-N 2.94Å
251	E	92.7	Very high	90.9	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152	173.6	69	172	-135.9	0	0	112.5	I61 K62 G73 H74 A76 H81 V212	I61-E251 WeakPolarHBondContact CG2-OE2 3.23Å; K62-E251 WeakPolarHBondContact CB-OE1 3.39Å; G73-E251 CarbonylContact C-O 3.59Å; G73-E251 VanDerWaalsContact CA-O 3.31Å; G73-E251 WeakPolarHBondContact CA-O 3.49Å; H74-E251 IonicContact CE1-OE1 2.8Å; H74-E251 PolarHBondContact CE1-OE1 2.82Å; H74-E251 VanDerWaalsContact CE1-OE1 3.23Å; H74-E251 PolarHBondContact N-O 2.98Å; H74-E251 PolarHBondContact ND1-O 2.99Å; H74-E251 IonicContact NE2-OE1 3.19Å; H74-E251 PolarHBondContact O-N 3Å; A76-E251 HydrophobicContact CB-CB 4.26Å; A76-E251 HydrophobicContact CB-CG 4.05Å; H81-E251 IonicContact CD2-OE2 3.7Å; H81-E251 IonicContact CE1-OE2 2.96Å; H81-E251 IonicContact NE2-OE2 2.9Å; H81-E251 PolarHBondContact NE2-OE2 3.3Å; V212-E251 CarbonylContact O-C 3.48Å; V212-E251 VanDerWaalsContact O-CA 3.31Å; V212-E251 WeakPolarHBondContact O-CA 3.4Å
252	S	90.2	Very high	92.1	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	132.8	178.5	-162.7	0	0	0	0	112.3	L211 V212	L211-S252 WeakPolarHBondContact CA-O 3.44Å; V212-S252 PolarHBondContact N-O 3.42Å; V212-S252 PolarHBondContact O-N 3.08Å
253	G	90.1	Very high	92.9	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.2	171.4	0	0	0	0	0	111.8	C210 Q280 K285	C210-G253 WeakPolarHBondContact O-CA 3.43Å; G253-Q280 PolarHBondContact O-OE1 2.76Å; G253-Q280 VanDerWaalsContact O-OE1 3.07Å; G253-K285 WeakPolarHBondContact O-CD 3.26Å
254	V	91.7	Very high	93.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.2	176	-63.9	0	0	0	0	110.6	C210 V212 A278 L296	C210-V254 HydrophobicContact CB-CG2 4.15Å; C210-V254 PolarHBondContact N-O 2.69Å; C210-V254 PolarHBondContact O-N 3.35Å; V212-V254 HydrophobicContact CG1-CG2 4.15Å; V212-V254 HydrophobicContact CG2-CG1 4.14Å; V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG2-CB 3.88Å; V254-L296 HydrophobicContact CG2-CD1 3.58Å
255	K	92.9	Very high	93.8	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	171.8	-74.2	-178.1	-176.7	171.6	0	109.6	T208 K209 H257 A278 G279 Q280	T208-K255 WeakPolarHBondContact O-CA 3.3Å; K209-K255 HydrophobicContact CG-CG 4.13Å; K255-H257 PolarHBondContact O-N 3.12Å; K255-A278 VanDerWaalsContact O-CA 3.24Å; K255-A278 WeakPolarHBondContact O-CA 3.35Å; K255-A278 WeakPolarHBondContact O-CB 3.31Å; K255-G279 PolarHBondContact N-O 2.89Å; K255-G279 PolarHBondContact O-N 3.48Å; K255-Q280 HydrophobicContact CB-CG 4.06Å; K255-Q280 HydrophobicContact CD-CG 4.46Å; K255-Q280 VanDerWaalsContact CD-NE2 3.28Å; K255-Q280 HydrophobicContact CG-CG 4.06Å
256	R	94.7	Very high	94	Very high	9 Å²	9	47 Å²	47	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	127.1	169.6	175	53.6	166.5	124.7	-5.9	109.9	L204 P205 R207 T208 D259 C262 I276 C277	L204-R256 HydrophobicContact CD2-CB 4.24Å; L204-R256 HydrophobicContact CD2-CG 4.2Å; L204-R256 HydrophobicContact CG-CB 4.45Å; L204-R256 HydrophobicContact CG-CG 4.21Å; P205-R256 WeakPolarHBondContact O-CG 3.35Å; R207-R256 PolarHBondContact N-O 3.09Å; T208-R256 PolarHBondContact O-N 2.75Å; R256-D259 IonicContact CZ-OD1 2.83Å; R256-D259 VanDerWaalsContact CZ-OD1 3.27Å; R256-D259 IonicContact NH1-OD1 3.04Å; R256-D259 PolarHBondContact NH1-OD1 3.19Å; R256-D259 IonicContact NH2-OD1 3.12Å; R256-D259 PolarHBondContact NH2-OD1 2.89Å; R256-D259 IonicContact NH2-OD2 2.72Å; R256-C262 PolarHBondContact NH1-SG 3.35Å; R256-C262 VanDerWaalsContact NH1-SG 3.4Å; R256-I276 VanDerWaalsContact CD-CG2 3.45Å; R256-C277 WeakPolarHBondContact CD-O 3.28Å
257	H	95.3	Very high	94	Very high	38 Å²	38	47.3 Å²	47.3	18%	0.176	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-84.6	165.5	168.1	-73.6	-74.9	0	0	0	110.8	K255 F261 C277	K255-H257 PolarHBondContact O-N 3.12Å; H257-F261 HydrophobicContact CB-CB 4.35Å; H257-F261 HydrophobicContact CB-CD1 3.5Å; H257-F261 VanDerWaalsContact CB-CD1 3.5Å; H257-F261 HydrophobicContact CB-CE1 4.2Å; H257-F261 HydrophobicContact CB-CG 4.25Å; H257-F261 AromaticContact CD2-CE1 3.84Å; H257-F261 AromaticContact CE1-CE1 3.56Å; H257-F261 AromaticContact CG-CD1 3.38Å; H257-F261 AromaticContact CG-CE1 3.58Å; H257-F261 AromaticContact ND1-CD1 3.38Å; H257-F261 WeakPolarHBondContact ND1-CD1 3.2Å; H257-F261 AromaticContact ND1-CE1 3.4Å; H257-F261 WeakPolarHBondContact ND1-CE1 3.24Å; H257-F261 AromaticContact NE2-CE1 3.84Å; H257-C277 PolarHBondContact N-O 3.05Å
258	S	96.4	Very high	93.9	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-73.1	156	169.2	56	0	0	0	0	110.9	Y260 F261 C262	S258-Y260 VanDerWaalsContact C-N 3.29Å; S258-Y260 PolarHBondContact O-N 2.82Å; S258-F261 WeakPolarHBondContact O-CB 3.38Å; S258-F261 PolarHBondContact O-N 2.79Å; S258-F261 VanDerWaalsContact O-N 3.08Å; S258-F261 WeakPolarHBondContact OG-CB 3.2Å; S258-F261 PolarHBondContact OG-N 2.86Å; S258-C262 PolarHBondContact O-N 2.86Å; S258-C262 PolarHBondContact O-SG 2.62Å
259	D	96	Very high	93.5	Very high	49 Å²	49	47.8 Å²	47.8	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-41.6	176.3	-65.7	-30.1	0	0	0	111.9	R256 F261 C262 E263 F270	R256-D259 IonicContact CZ-OD1 2.83Å; R256-D259 VanDerWaalsContact CZ-OD1 3.27Å; R256-D259 IonicContact NH1-OD1 3.04Å; R256-D259 PolarHBondContact NH1-OD1 3.19Å; R256-D259 IonicContact NH2-OD1 3.12Å; R256-D259 PolarHBondContact NH2-OD1 2.89Å; R256-D259 IonicContact NH2-OD2 2.72Å; D259-F261 VanDerWaalsContact C-N 3.26Å; D259-F261 PolarHBondContact O-N 2.82Å; D259-C262 WeakPolarHBondContact O-CB 3.06Å; D259-C262 PolarHBondContact O-N 2.97Å; D259-E263 WeakPolarHBondContact O-CB 3.35Å; D259-E263 PolarHBondContact O-N 2.82Å; D259-F270 HydrophobicContact CB-CE1 4.08Å; D259-F270 HydrophobicContact CB-CZ 4.26Å; D259-F270 WeakPolarHBondContact OD1-CZ 3.46Å
260	Y	96.4	Very high	93.4	Very high	184 Å²	184	48.6 Å²	48.6	72%	0.722	26%	0.256	S	S	*	.	H	α-helix	trans	-51.9	-44.2	171.6	179.4	-95.7	0	0	0	112.9	S258 Y264	S258-Y260 VanDerWaalsContact C-N 3.29Å; S258-Y260 PolarHBondContact O-N 2.82Å; Y260-Y264 WeakPolarHBondContact O-CB 3.18Å; Y260-Y264 PolarHBondContact O-N 3.48Å
261	F	95.5	Very high	93.4	Very high	47 Å²	47	48.1 Å²	48.1	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-40.2	177.4	176.4	-91.9	0	0	0	112.1	H257 S258 D259 E263 Y264 A265 H317 S319 P321	H257-F261 HydrophobicContact CB-CB 4.35Å; H257-F261 HydrophobicContact CB-CD1 3.5Å; H257-F261 VanDerWaalsContact CB-CD1 3.5Å; H257-F261 HydrophobicContact CB-CE1 4.2Å; H257-F261 HydrophobicContact CB-CG 4.25Å; H257-F261 AromaticContact CD2-CE1 3.84Å; H257-F261 AromaticContact CE1-CE1 3.56Å; H257-F261 AromaticContact CG-CD1 3.38Å; H257-F261 AromaticContact CG-CE1 3.58Å; H257-F261 AromaticContact ND1-CD1 3.38Å; H257-F261 WeakPolarHBondContact ND1-CD1 3.2Å; H257-F261 AromaticContact ND1-CE1 3.4Å; H257-F261 WeakPolarHBondContact ND1-CE1 3.24Å; H257-F261 AromaticContact NE2-CE1 3.84Å; S258-F261 WeakPolarHBondContact O-CB 3.38Å; S258-F261 PolarHBondContact O-N 2.79Å; S258-F261 VanDerWaalsContact O-N 3.08Å; S258-F261 WeakPolarHBondContact OG-CB 3.2Å; S258-F261 PolarHBondContact OG-N 2.86Å; D259-F261 VanDerWaalsContact C-N 3.26Å; D259-F261 PolarHBondContact O-N 2.82Å; F261-E263 VanDerWaalsContact C-N 3.34Å; F261-Y264 PolarHBondContact O-N 3.47Å; F261-A265 HydrophobicContact CE1-CB 4.19Å; F261-A265 HydrophobicContact CZ-CB 4.4Å; F261-A265 VanDerWaalsContact O-CB 3.25Å; F261-A265 WeakPolarHBondContact O-CB 3.38Å; F261-A265 PolarHBondContact O-N 3.45Å; F261-H317 AromaticContact CZ-CE1 3.86Å; F261-S319 VanDerWaalsContact CZ-OG 3.27Å; F261-S319 WeakPolarHBondContact CZ-OG 3.4Å; F261-P321 HydrophobicContact CE1-CG 4.36Å
262	C	95.4	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-43.9	178.8	-60.9	0	0	0	0	111.1	R256 S258 D259 A265 M266 F270 C277	R256-C262 PolarHBondContact NH1-SG 3.35Å; R256-C262 VanDerWaalsContact NH1-SG 3.4Å; S258-C262 PolarHBondContact O-N 2.86Å; S258-C262 PolarHBondContact O-SG 2.62Å; D259-C262 WeakPolarHBondContact O-CB 3.06Å; D259-C262 PolarHBondContact O-N 2.97Å; C262-A265 PolarHBondContact O-N 3.21Å; C262-M266 VanDerWaalsContact O-CB 3.32Å; C262-M266 WeakPolarHBondContact O-CB 3.26Å; C262-M266 PolarHBondContact O-N 3.27Å; C262-F270 HydrophobicContact CB-CD1 3.78Å; C262-F270 HydrophobicContact CB-CD2 3.55Å; C262-F270 HydrophobicContact CB-CE1 3.64Å; C262-F270 HydrophobicContact CB-CE2 3.41Å; C262-F270 VanDerWaalsContact CB-CE2 3.41Å; C262-F270 HydrophobicContact CB-CG 3.73Å; C262-F270 HydrophobicContact CB-CZ 3.46Å; C262-F270 VanDerWaalsContact CB-CZ 3.46Å; C262-C277 WeakPolarHBondContact CA-SG 3.39Å; C262-C277 HydrophobicContact CB-CB 3.85Å; C262-C277 WeakPolarHBondContact CB-SG 3.42Å; C262-C277 WeakPolarHBondContact SG-CB 3.25Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 3.06Å
263	E	95.4	Very high	93.6	Very high	116 Å²	116	59.1 Å²	59.1	54%	0.542	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-46.6	173.8	-174.1	175.3	-162.8	0	0	111.2	D259 F261 A265 M266 G267 F270	D259-E263 WeakPolarHBondContact O-CB 3.35Å; D259-E263 PolarHBondContact O-N 2.82Å; F261-E263 VanDerWaalsContact C-N 3.34Å; E263-A265 VanDerWaalsContact C-N 3.32Å; E263-A265 PolarHBondContact O-N 3.06Å; E263-M266 PolarHBondContact O-N 3.37Å; E263-G267 WeakPolarHBondContact O-CA 3.32Å; E263-G267 PolarHBondContact O-N 3.49Å; E263-F270 HydrophobicContact CB-CD1 4Å
264	Y	94.6	Very high	93.9	Very high	162 Å²	162	59.3 Å²	59.3	64%	0.635	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-41.6	174.3	173.9	-103.6	0	0	0	112.8	Y260 F261 H317	Y260-Y264 WeakPolarHBondContact O-CB 3.18Å; Y260-Y264 PolarHBondContact O-N 3.48Å; F261-Y264 PolarHBondContact O-N 3.47Å; Y264-H317 AromaticContact CD1-NE2 3.97Å; Y264-H317 AromaticContact CE1-CD2 3.89Å; Y264-H317 AromaticContact CE1-NE2 3.45Å; Y264-H317 WeakPolarHBondContact CE1-NE2 3.15Å
265	A	92	Very high	94.1	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-80.9	-21.5	-174.9	0	0	0	0	0	114.3	F261 C262 E263 H317 P321	F261-A265 HydrophobicContact CE1-CB 4.19Å; F261-A265 HydrophobicContact CZ-CB 4.4Å; F261-A265 VanDerWaalsContact O-CB 3.25Å; F261-A265 WeakPolarHBondContact O-CB 3.38Å; F261-A265 PolarHBondContact O-N 3.45Å; C262-A265 PolarHBondContact O-N 3.21Å; E263-A265 VanDerWaalsContact C-N 3.32Å; E263-A265 PolarHBondContact O-N 3.06Å; A265-H317 HydrophobicContact CB-CB 3.8Å; A265-H317 WeakPolarHBondContact O-CB 3.32Å; A265-P321 HydrophobicContact CB-CG 4.02Å
266	M	92.1	Very high	94.2	Very high	28 Å²	28	58.6 Å²	58.6	14%	0.138	30%	0.295	C	S	.	.	H	α-helix	trans	-128	-11.1	-171.3	-57.7	-170.2	69.8	0	0	113.9	C262 E263 A269 F270 T314 L323	C262-M266 VanDerWaalsContact O-CB 3.32Å; C262-M266 WeakPolarHBondContact O-CB 3.26Å; C262-M266 PolarHBondContact O-N 3.27Å; E263-M266 PolarHBondContact O-N 3.37Å; M266-A269 WeakPolarHBondContact O-CB 3.09Å; M266-A269 PolarHBondContact O-N 3.25Å; M266-F270 HydrophobicContact CB-CB 3.89Å; M266-T314 HydrophobicContact CG-CG2 4.19Å; M266-L323 HydrophobicContact CE-CB 3.79Å; M266-L323 HydrophobicContact CE-CD1 4.11Å; M266-L323 HydrophobicContact CE-CD2 3.66Å; M266-L323 HydrophobicContact CE-CG 4.06Å; M266-L323 HydrophobicContact SD-CB 4.18Å; M266-L323 HydrophobicContact SD-CD1 3.89Å; M266-L323 HydrophobicContact SD-CG 4.42Å
267	G	92.1	Very high	94.3	Very high	29 Å²	29	58.1 Å²	58.1	30%	0.299	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	52.5	-133.4	-178.5	0	0	0	0	0	112	E263 A269 F270	E263-G267 WeakPolarHBondContact O-CA 3.32Å; E263-G267 PolarHBondContact O-N 3.49Å; G267-A269 PolarHBondContact O-N 3.3Å; G267-F270 PolarHBondContact O-N 3.44Å
268	P	90.3	Very high	94.2	Very high	142 Å²	142	56.4 Å²	56.4	92%	0.922	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-66.3	-9.3	-174.2	29.4	-36.3	0	0	0	114.2	F270	P268-F270 VanDerWaalsContact C-N 3.27Å
269	A	88.6	Confident	93.9	Very high	60 Å²	60	54.3 Å²	54.3	50%	0.496	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-77.4	-14.4	173.5	0	0	0	0	0	112.9	M266 G267	M266-A269 WeakPolarHBondContact O-CB 3.09Å; M266-A269 PolarHBondContact O-N 3.25Å; G267-A269 PolarHBondContact O-N 3.3Å
270	F	94.3	Very high	93.2	Very high	18 Å²	18	54.2 Å²	54.2	8%	0.079	27%	0.269	C	S	.	.			trans	-101.3	141.5	174.7	179.5	-100.6	0	0	0	110.7	D259 C262 E263 M266 G267 P268 H275 L323	D259-F270 HydrophobicContact CB-CE1 4.08Å; D259-F270 HydrophobicContact CB-CZ 4.26Å; D259-F270 WeakPolarHBondContact OD1-CZ 3.46Å; C262-F270 HydrophobicContact CB-CD1 3.78Å; C262-F270 HydrophobicContact CB-CD2 3.55Å; C262-F270 HydrophobicContact CB-CE1 3.64Å; C262-F270 HydrophobicContact CB-CE2 3.41Å; C262-F270 VanDerWaalsContact CB-CE2 3.41Å; C262-F270 HydrophobicContact CB-CG 3.73Å; C262-F270 HydrophobicContact CB-CZ 3.46Å; C262-F270 VanDerWaalsContact CB-CZ 3.46Å; E263-F270 HydrophobicContact CB-CD1 4Å; M266-F270 HydrophobicContact CB-CB 3.89Å; G267-F270 PolarHBondContact O-N 3.44Å; P268-F270 VanDerWaalsContact C-N 3.27Å; F270-H275 HydrophobicContact CD2-CB 3.79Å; F270-H275 HydrophobicContact CE2-CB 3.68Å; F270-L323 HydrophobicContact CD2-CD1 3.83Å; F270-L323 HydrophobicContact CE2-CD1 4.42Å
271	D	94.9	Very high	91.9	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.171	25%	0.248	C	C	.	.			trans	-141.1	115.3	176.4	-177.7	-29.4	0	0	0	106.9	K175 E273 V274 H275	K175-D271 WeakPolarHBondContact CE-OD2 3.39Å; K175-D271 IonicContact NZ-OD2 2.62Å; K175-D271 PolarHBondContact NZ-OD2 2.02Å; D271-E273 PolarHBondContact O-N 3.21Å; D271-E273 VanDerWaalsContact OD1-CB 3.31Å; D271-E273 WeakPolarHBondContact OD1-CB 3.47Å; D271-E273 PolarHBondContact OD1-N 3.4Å; D271-V274 HydrophobicContact CB-CG2 3.91Å; D271-V274 PolarHBondContact O-N 2.83Å; D271-H275 PolarHBondContact N-ND1 2.86Å; D271-H275 VanDerWaalsContact N-ND1 3.13Å; D271-H275 WeakPolarHBondContact O-CA 3.16Å; D271-H275 WeakPolarHBondContact O-CB 3.4Å; D271-H275 PolarHBondContact O-N 2.91Å; D271-H275 PolarHBondContact O-ND1 3.45Å
272	Y	94.5	Very high	90.8	Very high	137 Å²	137	55 Å²	55	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.9	-175.1	71.9	-89.1	0	0	0	112.8	K326	Y272-K326 PolarHBondContact O-NZ 3.01Å
273	E	93.4	Very high	89.7	Confident	106 Å²	106	55.6 Å²	55.6	50%	0.495	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-40.6	178.6	-62.2	-170.8	140.9	0	0	111.1	D271 S329	D271-E273 PolarHBondContact O-N 3.21Å; D271-E273 VanDerWaalsContact OD1-CB 3.31Å; D271-E273 WeakPolarHBondContact OD1-CB 3.47Å; D271-E273 PolarHBondContact OD1-N 3.4Å; E273-S329 PolarHBondContact O-OG 2.89Å
274	V	94.8	Very high	88.5	Confident	17 Å²	17	58.1 Å²	58.1	10%	0.103	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-6.6	-170.4	-63.2	0	0	0	0	114.6	K175 D271 K326 Y330	K175-V274 HydrophobicContact CG-CG2 4.19Å; D271-V274 HydrophobicContact CB-CG2 3.91Å; D271-V274 PolarHBondContact O-N 2.83Å; V274-K326 WeakPolarHBondContact O-CB 3.32Å; V274-K326 PolarHBondContact O-N 2.75Å; V274-Y330 HydrophobicContact CB-CE2 4.41Å
275	H	96.1	Very high	87.5	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.4	-177.2	-58.1	126.3	0	0	0	113.7	K175 F270 D271 L323 F324 K326	K175-H275 PolarHBondContact O-NE2 2.82Å; F270-H275 HydrophobicContact CD2-CB 3.79Å; F270-H275 HydrophobicContact CE2-CB 3.68Å; D271-H275 PolarHBondContact N-ND1 2.86Å; D271-H275 VanDerWaalsContact N-ND1 3.13Å; D271-H275 WeakPolarHBondContact O-CA 3.16Å; D271-H275 WeakPolarHBondContact O-CB 3.4Å; D271-H275 PolarHBondContact O-N 2.91Å; D271-H275 PolarHBondContact O-ND1 3.45Å; H275-L323 HydrophobicContact CB-CD1 3.71Å; H275-F324 CarbonylContact C-O 3.6Å; H275-F324 VanDerWaalsContact CA-O 3.31Å; H275-F324 WeakPolarHBondContact CA-O 3.33Å; H275-K326 WeakPolarHBondContact O-CE 3.31Å
276	I	95.9	Very high	86.7	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.8	166.3	-74.4	170.7	0	0	0	107.3	L204 R256 L296 F324 K326	L204-I276 HydrophobicContact CB-CD1 4.44Å; L204-I276 HydrophobicContact CD2-CD1 4.43Å; R256-I276 VanDerWaalsContact CD-CG2 3.45Å; I276-L296 HydrophobicContact CG2-CD2 3.99Å; I276-F324 PolarHBondContact N-O 2.9Å; I276-F324 PolarHBondContact O-N 3.14Å; I276-K326 HydrophobicContact CD1-CB 4.14Å; I276-K326 HydrophobicContact CD1-CD 4.41Å; I276-K326 HydrophobicContact CD1-CG 3.78Å; I276-K326 HydrophobicContact CG1-CB 4.14Å; I276-K326 HydrophobicContact CG1-CG 4.14Å
277	C	95.7	Very high	86.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.4	168.5	93.2	0	0	0	0	112.9	R256 H257 C262 P321 S322	R256-C277 WeakPolarHBondContact CD-O 3.28Å; H257-C277 PolarHBondContact N-O 3.05Å; C262-C277 WeakPolarHBondContact CA-SG 3.39Å; C262-C277 HydrophobicContact CB-CB 3.85Å; C262-C277 WeakPolarHBondContact CB-SG 3.42Å; C262-C277 WeakPolarHBondContact SG-CB 3.25Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 3.06Å; C277-P321 HydrophobicContact CB-CB 4.26Å; C277-S322 CarbonylContact C-O 3.58Å; C277-S322 WeakPolarHBondContact CA-O 3.43Å; C277-S322 VanDerWaalsContact CB-O 3.32Å; C277-S322 WeakPolarHBondContact CB-O 3.44Å
278	A	94.8	Very high	85.8	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.8	-178.9	0	0	0	0	0	111.3	V254 K255 S322 F324	V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG2-CB 3.88Å; K255-A278 VanDerWaalsContact O-CA 3.24Å; K255-A278 WeakPolarHBondContact O-CA 3.35Å; K255-A278 WeakPolarHBondContact O-CB 3.31Å; A278-S322 PolarHBondContact N-O 3.19Å; A278-S322 PolarHBondContact O-N 2.87Å; A278-F324 HydrophobicContact CB-CE2 3.83Å
279	G	90	Very high	85.5	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	170	-179.6	0	0	0	0	0	111.8	K255	K255-G279 PolarHBondContact N-O 2.89Å; K255-G279 PolarHBondContact O-N 3.48Å
280	Q	80.7	Confident	85.4	Confident	46 Å²	46	43.9 Å²	43.9	22%	0.215	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-150.9	170.4	172.4	-67.1	-162.9	-67.5	0	0	111.2	G253 K255 K282 G283 K285	G253-Q280 PolarHBondContact O-OE1 2.76Å; G253-Q280 VanDerWaalsContact O-OE1 3.07Å; K255-Q280 HydrophobicContact CB-CG 4.06Å; K255-Q280 HydrophobicContact CD-CG 4.46Å; K255-Q280 VanDerWaalsContact CD-NE2 3.28Å; K255-Q280 HydrophobicContact CG-CG 4.06Å; Q280-K282 PolarHBondContact O-N 3.1Å; Q280-G283 PolarHBondContact O-N 3.37Å; Q280-K285 HydrophobicContact CB-CB 4.16Å; Q280-K285 HydrophobicContact CB-CD 4.13Å; Q280-K285 HydrophobicContact CB-CG 4.46Å; Q280-K285 PolarHBondContact O-N 2.8Å; Q280-K285 VanDerWaalsContact OE1-NZ 3.14Å
281	E	68.3	Low	85.3	Confident	60 Å²	60	44 Å²	44	28%	0.28	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	56.1	44	167.3	-68.5	167.8	-156.9	0	0	114.2	T71 G283 R284 K285	T71-E281 WeakPolarHBondContact CA-OE2 3.48Å; T71-E281 WeakPolarHBondContact CG2-OE2 3.43Å; E281-G283 PolarHBondContact O-N 3.02Å; E281-R284 HydrophobicContact CB-CB 3.91Å; E281-R284 WeakPolarHBondContact O-CB 3.12Å; E281-R284 WeakPolarHBondContact O-CG 3.44Å; E281-R284 PolarHBondContact O-N 3.14Å; E281-K285 VanDerWaalsContact CD-CE 3.45Å; E281-K285 WeakPolarHBondContact OE1-CE 3.16Å; E281-K285 IonicContact OE1-NZ 2.68Å; E281-K285 PolarHBondContact OE1-NZ 3.31Å
282	K	74.1	Confident	85.3	Confident	189 Å²	189	43 Å²	43	82%	0.822	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	51.1	43.6	176.5	-57.8	-178.1	177.9	-177.5	0	112.3	Q280	Q280-K282 PolarHBondContact O-N 3.1Å
283	G	70.5	Confident	85.4	Confident	12 Å²	12	36.5 Å²	36.5	12%	0.124	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	84.8	9.4	177.9	0	0	0	0	0	114.8	Q280 E281 R313 S319	Q280-G283 PolarHBondContact O-N 3.37Å; E281-G283 PolarHBondContact O-N 3.02Å; G283-R313 PolarHBondContact O-NH2 3.29Å; G283-S319 WeakPolarHBondContact CA-O 3.49Å; G283-S319 PolarHBondContact N-O 3.4Å
284	R	71.9	Confident	85.6	Confident	168 Å²	168	31.5 Å²	31.5	63%	0.634	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-27.1	169.5	-65.7	-176	72.1	126.9	2.6	113	E281	E281-R284 HydrophobicContact CB-CB 3.91Å; E281-R284 WeakPolarHBondContact O-CB 3.12Å; E281-R284 WeakPolarHBondContact O-CG 3.44Å; E281-R284 PolarHBondContact O-N 3.14Å
285	K	72	Confident	85.7	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.026	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-111	136.3	176.1	-65.5	-163.5	-170.8	152.8	0	112.1	I70 G253 Q280 E281 R313	I70-K285 VanDerWaalsContact C-CE 3.49Å; I70-K285 WeakPolarHBondContact O-CE 3.4Å; I70-K285 PolarHBondContact O-NZ 2.91Å; G253-K285 WeakPolarHBondContact O-CD 3.26Å; Q280-K285 HydrophobicContact CB-CB 4.16Å; Q280-K285 HydrophobicContact CB-CD 4.13Å; Q280-K285 HydrophobicContact CB-CG 4.46Å; Q280-K285 PolarHBondContact O-N 2.8Å; Q280-K285 VanDerWaalsContact OE1-NZ 3.14Å; E281-K285 VanDerWaalsContact CD-CE 3.45Å; E281-K285 WeakPolarHBondContact OE1-CE 3.16Å; E281-K285 IonicContact OE1-NZ 2.68Å; E281-K285 PolarHBondContact OE1-NZ 3.31Å; K285-R313 PolarHBondContact O-NH2 3.43Å
286	G	76.2	Confident	85.7	Confident	18 Å²	18	30.5 Å²	30.5	19%	0.186	15%	0.145	C	C	.	.	S	Bend	trans	155.9	177.8	178	0	0	0	0	0	108.9	S322	G286-S322 WeakPolarHBondContact CA-OG 3.35Å
287	V	82.6	Confident	85.7	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.145	C	C	.	.			trans	-69.3	162.1	174.8	-58.5	0	0	0	0	111.6	V212 D291 T310 G312 R313 S322 F324	V212-V287 HydrophobicContact CB-CG1 4.12Å; V212-V287 HydrophobicContact CG1-CG1 4.13Å; V212-V287 HydrophobicContact CG2-CG1 4.21Å; V287-D291 WeakPolarHBondContact CA-OD2 3.27Å; V287-D291 HydrophobicContact CB-CB 3.73Å; V287-D291 HydrophobicContact CG1-CB 4.11Å; V287-T310 HydrophobicContact CB-CG2 3.78Å; V287-T310 HydrophobicContact CG1-CG2 3.63Å; V287-T310 HydrophobicContact CG2-CG2 3.49Å; V287-T310 VanDerWaalsContact CG2-CG2 3.49Å; V287-G312 WeakPolarHBondContact CG2-O 3.37Å; V287-R313 HydrophobicContact CG2-CB 4.16Å; V287-R313 WeakPolarHBondContact O-CD 3.4Å; V287-R313 PolarHBondContact O-NH1 3.36Å; V287-S322 VanDerWaalsContact CG2-OG 3.23Å; V287-S322 WeakPolarHBondContact CG2-OG 3.34Å; V287-S322 PolarHBondContact N-OG 3.44Å; V287-F324 HydrophobicContact CG1-CE1 4.23Å; V287-F324 HydrophobicContact CG1-CZ 4.37Å
288	N	82.9	Confident	85.6	Confident	10 Å²	10	30.5 Å²	30.5	5%	0.053	15%	0.145	C	C	.	.			trans	-133.6	-170.1	176.1	-155.6	-15.8	0	0	0	110.2	A217 Y223 H290 D291	A217-N288 HydrophobicContact CB-CB 4.34Å; A217-N288 WeakPolarHBondContact O-CB 3.39Å; A217-N288 VanDerWaalsContact O-CG 3.23Å; A217-N288 PolarHBondContact O-ND2 3.08Å; Y223-N288 WeakPolarHBondContact CB-OD1 3.49Å; Y223-N288 WeakPolarHBondContact CD2-OD1 3.39Å; N288-H290 PolarHBondContact O-N 3.2Å; N288-D291 PolarHBondContact N-OD2 3.14Å; N288-D291 WeakPolarHBondContact O-CB 2.88Å; N288-D291 PolarHBondContact O-N 2.93Å
289	N	83	Confident	85.5	Confident	41 Å²	41	35.8 Å²	35.8	22%	0.219	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	135.7	173.2	-69.2	89.1	0	0	0	110.7	G216 A217 Y223 L243 D291	G216-N289 CarbonylContact C-O 3.57Å; G216-N289 WeakPolarHBondContact CA-O 3.23Å; A217-N289 HydrophobicContact CB-CB 4.25Å; A217-N289 PolarHBondContact N-O 3.4Å; Y223-N289 WeakPolarHBondContact CD2-OD1 3.48Å; L243-N289 HydrophobicContact CD1-CB 3.86Å; L243-N289 HydrophobicContact CD2-CB 3.81Å; N289-D291 VanDerWaalsContact C-N 3.31Å; N289-D291 PolarHBondContact O-N 3.37Å
290	H	87.1	Confident	85.5	Confident	50 Å²	50	37.2 Å²	37.2	23%	0.231	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	1.6	-178.7	-49.2	-70.7	0	0	0	117.7	K93 M245 N288 S292	K93-H290 HydrophobicContact CB-CB 4.16Å; K93-H290 WeakPolarHBondContact O-CA 3.43Å; K93-H290 WeakPolarHBondContact O-CB 3.12Å; K93-H290 PolarHBondContact O-ND1 3.46Å; M245-H290 HydrophobicContact CE-CB 3.94Å; M245-H290 VanDerWaalsContact CE-CD2 3.42Å; M245-H290 WeakPolarHBondContact CE-CD2 3.5Å; N288-H290 PolarHBondContact O-N 3.2Å; H290-S292 VanDerWaalsContact C-N 3.31Å
291	D	92.2	Very high	85.8	Confident	19 Å²	19	39.3 Å²	39.3	10%	0.102	18%	0.182	C	C	.	.			trans	-83.6	-7.3	169.8	-71.4	-35.2	0	0	0	113.2	G216 V287 N288 N289 G293 G294 T310	G216-D291 WeakPolarHBondContact CA-OD1 3.36Å; G216-D291 PolarHBondContact N-OD1 2.82Å; V287-D291 WeakPolarHBondContact CA-OD2 3.27Å; V287-D291 HydrophobicContact CB-CB 3.73Å; V287-D291 HydrophobicContact CG1-CB 4.11Å; N288-D291 PolarHBondContact N-OD2 3.14Å; N288-D291 WeakPolarHBondContact O-CB 2.88Å; N288-D291 PolarHBondContact O-N 2.93Å; N289-D291 VanDerWaalsContact C-N 3.31Å; N289-D291 PolarHBondContact O-N 3.37Å; D291-G293 PolarHBondContact O-N 3.33Å; D291-G294 WeakPolarHBondContact O-CA 3.27Å; D291-G294 PolarHBondContact O-N 3.23Å; D291-T310 HydrophobicContact CB-CG2 4.5Å; D291-T310 WeakPolarHBondContact O-CB 3.36Å; D291-T310 WeakPolarHBondContact O-CG2 3.49Å
292	S	94	Very high	86.8	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.091	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	139	176.9	-69.5	0	0	0	0	111.7	C94 G95 H115 H290 G294	C94-S292 VanDerWaalsContact CB-O 3.3Å; C94-S292 WeakPolarHBondContact CB-O 3.16Å; G95-S292 PolarHBondContact N-O 2.86Å; H115-S292 VanDerWaalsContact CE1-CB 3.44Å; H115-S292 WeakPolarHBondContact CE1-CB 3.49Å; H115-S292 PolarHBondContact CE1-OG 3.26Å; H115-S292 WeakPolarHBondContact NE2-CB 3.43Å; H115-S292 PolarHBondContact NE2-OG 3.44Å; H290-S292 VanDerWaalsContact C-N 3.31Å; S292-G294 PolarHBondContact O-N 3.13Å
293	G	96.9	Very high	87.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-14.2	-173.5	0	0	0	0	0	114.7	G95 G96 T112 D291 I309 T310	G95-G293 CarbonylContact O-C 3.59Å; G95-G293 VanDerWaalsContact O-C 3.26Å; G95-G293 VanDerWaalsContact O-CA 3.23Å; G95-G293 WeakPolarHBondContact O-CA 3.36Å; G96-G293 WeakPolarHBondContact CA-O 3.2Å; T112-G293 WeakPolarHBondContact OG1-CA 3.48Å; D291-G293 PolarHBondContact O-N 3.33Å; G293-I309 WeakPolarHBondContact O-CD1 2.92Å; G293-T310 PolarHBondContact N-O 3.28Å
294	G	97.1	Very high	88.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	16%	0.164	C	C	.	.			trans	-69.2	159.6	177.1	0	0	0	0	0	113.8	D291 S292 T310	D291-G294 WeakPolarHBondContact O-CA 3.27Å; D291-G294 PolarHBondContact O-N 3.23Å; S292-G294 PolarHBondContact O-N 3.13Å; G294-T310 WeakPolarHBondContact O-CB 3.44Å; G294-T310 PolarHBondContact O-N 2.84Å; G294-T310 PolarHBondContact O-OG1 3.18Å
295	P	97.4	Very high	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.7	-172.4	27.9	-33.5	0	0	0	113.9	I84 V97 V212 I297 L306	I84-P295 HydrophobicContact CD1-CG 4.2Å; I84-P295 HydrophobicContact CG1-CG 4.31Å; V97-P295 HydrophobicContact CG2-CB 3.67Å; V97-P295 HydrophobicContact CG2-CG 4.21Å; V212-P295 WeakPolarHBondContact CA-O 3.34Å; P295-I297 HydrophobicContact CB-CG2 3.99Å; P295-L306 HydrophobicContact CB-CD1 3.84Å
296	L	96.5	Very high	91.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	103.6	150.6	178.5	72.5	0	0	0	107.9	C210 V212 V254 I276 Y307 G308 F324	C210-L296 HydrophobicContact CB-CD1 3.65Å; C210-L296 HydrophobicContact CB-CG 4.26Å; V212-L296 HydrophobicContact CG1-CD1 3.9Å; V254-L296 HydrophobicContact CG2-CD1 3.58Å; I276-L296 HydrophobicContact CG2-CD2 3.99Å; L296-Y307 PolarHBondContact O-N 3.15Å; L296-G308 PolarHBondContact N-O 3.42Å; L296-G308 PolarHBondContact O-N 3.22Å; L296-F324 HydrophobicContact CB-CD1 3.67Å; L296-F324 HydrophobicContact CB-CE1 3.9Å; L296-F324 HydrophobicContact CB-CG 4.11Å; L296-F324 HydrophobicContact CD1-CE1 4.3Å; L296-F324 HydrophobicContact CD1-CE2 4.34Å; L296-F324 HydrophobicContact CD1-CZ 4.12Å; L296-F324 HydrophobicContact CD2-CB 4.34Å; L296-F324 HydrophobicContact CD2-CD1 4.32Å; L296-F324 HydrophobicContact CD2-CD2 3.89Å; L296-F324 HydrophobicContact CD2-CE2 4.29Å; L296-F324 HydrophobicContact CD2-CG 3.92Å; L296-F324 HydrophobicContact CG-CD1 4.44Å
297	I	95.6	Very high	92.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.8	-179.8	46.4	155.4	0	0	0	111.3	W83 P196 C210 L211 P295 W304 T305 L306	W83-I297 HydrophobicContact CH2-CD1 4.31Å; W83-I297 HydrophobicContact CZ2-CD1 3.31Å; P196-I297 HydrophobicContact CB-CG2 4.35Å; C210-I297 CarbonylContact C-O 3.54Å; C210-I297 WeakPolarHBondContact CA-O 3.35Å; C210-I297 WeakPolarHBondContact CB-O 3.4Å; L211-I297 HydrophobicContact CB-CD1 4.29Å; L211-I297 HydrophobicContact CB-CG1 4.08Å; L211-I297 HydrophobicContact CD1-CD1 4.39Å; L211-I297 PolarHBondContact N-O 2.87Å; L211-I297 PolarHBondContact O-N 2.98Å; P295-I297 HydrophobicContact CB-CG2 3.99Å; I297-W304 HydrophobicContact CD1-CD2 4.33Å; I297-W304 HydrophobicContact CD1-CE3 3.81Å; I297-W304 HydrophobicContact CD1-CZ3 4.35Å; I297-W304 HydrophobicContact CG1-CE3 4.47Å; I297-T305 CarbonylContact C-O 3.26Å; I297-T305 VanDerWaalsContact CA-O 3.25Å; I297-T305 WeakPolarHBondContact CA-O 3.44Å; I297-L306 HydrophobicContact CG2-CB 4.49Å; I297-L306 HydrophobicContact CG2-CD1 4.14Å
298	C	94.3	Very high	92.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.3	177.8	-45.4	0	0	0	0	108.8	T208 C210 D300 T305 Y307	T208-C298 HydrophobicContact CG2-CB 4.38Å; C210-C298 HydrophobicContact CB-CB 4.04Å; C210-C298 WeakPolarHBondContact CB-SG 3.03Å; C210-C298 WeakPolarHBondContact SG-CB 3.38Å; C210-C298 CovalentContact SG-SG 2.04Å; C210-C298 PolarHBondContact SG-SG 3.33Å; C298-D300 PolarHBondContact O-N 3.33Å; C298-T305 PolarHBondContact N-O 3.44Å; C298-T305 PolarHBondContact O-N 3.38Å; C298-Y307 HydrophobicContact CB-CD2 3.7Å; C298-Y307 HydrophobicContact CB-CE2 3.76Å; C298-Y307 VanDerWaalsContact SG-CD2 3.51Å
299	Y	91.9	Very high	93.4	Very high	112 Å²	112	25.8 Å²	25.8	44%	0.439	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	104.8	177.4	-161.3	-116.8	0	0	0	108.7	N302 L303 W304	Y299-N302 HydrophobicContact CE1-CB 4.42Å; Y299-N302 VanDerWaalsContact CE2-C 3.43Å; Y299-N302 VanDerWaalsContact CE2-O 3.27Å; Y299-N302 WeakPolarHBondContact CE2-O 3.04Å; Y299-N302 VanDerWaalsContact CZ-C 3.46Å; Y299-N302 VanDerWaalsContact CZ-CA 3.42Å; Y299-N302 WeakPolarHBondContact OH-CA 3.49Å; Y299-N302 PolarHBondContact OH-O 2.79Å; Y299-L303 WeakPolarHBondContact CA-O 3.32Å; Y299-W304 AromaticContact CD2-CD2 3.69Å; Y299-W304 HydrophobicContact CD2-CD2 3.69Å; Y299-W304 AromaticContact CD2-CE2 3.56Å; Y299-W304 HydrophobicContact CD2-CE3 4.04Å; Y299-W304 HydrophobicContact CD2-CG 4.15Å; Y299-W304 HydrophobicContact CD2-CH2 4.22Å; Y299-W304 AromaticContact CD2-CZ2 3.85Å; Y299-W304 HydrophobicContact CD2-CZ2 3.85Å; Y299-W304 HydrophobicContact CD2-CZ3 4.3Å; Y299-W304 AromaticContact CD2-NE1 3.92Å; Y299-W304 HydrophobicContact CE2-CD2 4.4Å; Y299-W304 AromaticContact CE2-CE2 3.99Å; Y299-W304 HydrophobicContact CE2-CZ2 4.4Å; Y299-W304 AromaticContact CE2-NE1 3.9Å; Y299-W304 HydrophobicContact CG-CH2 4.46Å; Y299-W304 HydrophobicContact CG-CZ2 4.45Å
300	D	89.3	Confident	94.1	Very high	32 Å²	32	23.9 Å²	23.9	17%	0.171	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.3	-172.2	-176.2	22.9	0	0	0	109.6	C298 N302 L303 Y307	C298-D300 PolarHBondContact O-N 3.33Å; D300-N302 PolarHBondContact O-N 2.64Å; D300-N302 VanDerWaalsContact O-N 3.13Å; D300-L303 PolarHBondContact N-O 3.36Å; D300-L303 PolarHBondContact O-N 3.04Å; D300-L303 VanDerWaalsContact O-O 3.12Å; D300-Y307 HydrophobicContact CB-CE2 4.46Å; D300-Y307 PolarHBondContact OD2-OH 3.04Å
301	H	88.2	Confident	94.4	Very high	90 Å²	90	23.6 Å²	23.6	42%	0.417	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	40.3	-175.2	-63.4	79.4	0	0	0	114.4	P48 L303	P48-H301 HydrophobicContact CG-CB 4.23Å; H301-L303 PolarHBondContact O-N 2.97Å
302	N	88.8	Confident	94.3	Very high	124 Å²	124	23 Å²	23	66%	0.663	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	12.7	-175.7	-54.5	-52.8	0	0	0	116.3	Y299 D300	Y299-N302 HydrophobicContact CE1-CB 4.42Å; Y299-N302 VanDerWaalsContact CE2-C 3.43Å; Y299-N302 VanDerWaalsContact CE2-O 3.27Å; Y299-N302 WeakPolarHBondContact CE2-O 3.04Å; Y299-N302 VanDerWaalsContact CZ-C 3.46Å; Y299-N302 VanDerWaalsContact CZ-CA 3.42Å; Y299-N302 WeakPolarHBondContact OH-CA 3.49Å; Y299-N302 PolarHBondContact OH-O 2.79Å; D300-N302 PolarHBondContact O-N 2.64Å; D300-N302 VanDerWaalsContact O-N 3.13Å
303	L	92.8	Very high	94	Very high	15 Å²	15	23.5 Å²	23.5	8%	0.079	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.3	179.3	-60.4	172.5	0	0	0	110.8	P48 D50 R56 Y299 D300 H301 T305	P48-L303 HydrophobicContact CG-CD1 4.35Å; D50-L303 HydrophobicContact CB-CD1 3.84Å; R56-L303 HydrophobicContact CG-CD2 4Å; Y299-L303 WeakPolarHBondContact CA-O 3.32Å; D300-L303 PolarHBondContact N-O 3.36Å; D300-L303 PolarHBondContact O-N 3.04Å; D300-L303 VanDerWaalsContact O-O 3.12Å; H301-L303 PolarHBondContact O-N 2.97Å; L303-T305 PolarHBondContact O-N 2.86Å
304	W	95.2	Very high	93.3	Very high	26 Å²	26	24 Å²	24	10%	0.098	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.7	169.4	-67.3	105	0	0	0	109.8	G55 I61 A63 I65 W83 C197 L211 I297 Y299	G55-W304 VanDerWaalsContact CA-O 3.26Å; G55-W304 WeakPolarHBondContact CA-O 3.17Å; G55-W304 PolarHBondContact O-N 2.74Å; I61-W304 HydrophobicContact CB-CZ2 3.9Å; I61-W304 HydrophobicContact CD1-CD2 3.94Å; I61-W304 VanDerWaalsContact CD1-CE2 3.49Å; I61-W304 HydrophobicContact CD1-CG 4.31Å; I61-W304 HydrophobicContact CD1-CH2 4.37Å; I61-W304 HydrophobicContact CD1-CZ2 3.75Å; I61-W304 HydrophobicContact CG1-CZ2 4.01Å; I61-W304 HydrophobicContact CG2-CZ2 4.38Å; A63-W304 HydrophobicContact CB-CH2 3.8Å; A63-W304 HydrophobicContact CB-CZ2 4.29Å; I65-W304 HydrophobicContact CD1-CH2 3.81Å; I65-W304 HydrophobicContact CD1-CZ3 4.29Å; W83-W304 HydrophobicContact CH2-CB 3.49Å; W83-W304 VanDerWaalsContact CH2-CB 3.49Å; W83-W304 AromaticContact CH2-CD1 3.59Å; W83-W304 HydrophobicContact CH2-CD2 4.28Å; W83-W304 AromaticContact CH2-CG 3.49Å; W83-W304 HydrophobicContact CH2-CG 3.49Å; W83-W304 VanDerWaalsContact CH2-CG 3.49Å; W83-W304 HydrophobicContact CZ2-CB 4.14Å; W83-W304 HydrophobicContact CZ2-CG 4.2Å; W83-W304 HydrophobicContact CZ3-CB 3.81Å; W83-W304 HydrophobicContact CZ3-CG 4.18Å; C197-W304 PolarHBondContact N-O 3.25Å; L211-W304 HydrophobicContact CD1-CE3 4.43Å; L211-W304 HydrophobicContact CD1-CH2 3.47Å; L211-W304 VanDerWaalsContact CD1-CH2 3.47Å; L211-W304 HydrophobicContact CD1-CZ2 4.37Å; L211-W304 HydrophobicContact CD1-CZ3 3.52Å; L211-W304 HydrophobicContact CG-CH2 4.3Å; L211-W304 HydrophobicContact CG-CZ3 4.07Å; I297-W304 HydrophobicContact CD1-CD2 4.33Å; I297-W304 HydrophobicContact CD1-CE3 3.81Å; I297-W304 HydrophobicContact CD1-CZ3 4.35Å; I297-W304 HydrophobicContact CG1-CE3 4.47Å; Y299-W304 AromaticContact CD2-CD2 3.69Å; Y299-W304 HydrophobicContact CD2-CD2 3.69Å; Y299-W304 AromaticContact CD2-CE2 3.56Å; Y299-W304 HydrophobicContact CD2-CE3 4.04Å; Y299-W304 HydrophobicContact CD2-CG 4.15Å; Y299-W304 HydrophobicContact CD2-CH2 4.22Å; Y299-W304 AromaticContact CD2-CZ2 3.85Å; Y299-W304 HydrophobicContact CD2-CZ2 3.85Å; Y299-W304 HydrophobicContact CD2-CZ3 4.3Å; Y299-W304 AromaticContact CD2-NE1 3.92Å; Y299-W304 HydrophobicContact CE2-CD2 4.4Å; Y299-W304 AromaticContact CE2-CE2 3.99Å; Y299-W304 HydrophobicContact CE2-CZ2 4.4Å; Y299-W304 AromaticContact CE2-NE1 3.9Å; Y299-W304 HydrophobicContact CG-CH2 4.46Å; Y299-W304 HydrophobicContact CG-CZ2 4.45Å
305	T	95.2	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.7	-172.6	-60.6	0	0	0	0	110.7	P48 C197 S199 I297 C298 L303 Y307	P48-T305 HydrophobicContact CB-CG2 3.87Å; P48-T305 WeakPolarHBondContact CB-OG1 3.19Å; C197-T305 CarbonylContact O-C 3.58Å; C197-T305 WeakPolarHBondContact O-CA 3.46Å; S199-T305 VanDerWaalsContact N-CG2 3.33Å; I297-T305 CarbonylContact C-O 3.26Å; I297-T305 VanDerWaalsContact CA-O 3.25Å; I297-T305 WeakPolarHBondContact CA-O 3.44Å; C298-T305 PolarHBondContact N-O 3.44Å; C298-T305 PolarHBondContact O-N 3.38Å; L303-T305 PolarHBondContact O-N 2.86Å; T305-Y307 HydrophobicContact CG2-CD2 4.19Å; T305-Y307 HydrophobicContact CG2-CE2 3.74Å; T305-Y307 WeakPolarHBondContact O-CD2 3.31Å
306	L	96.2	Very high	91.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.3	176.9	-174.5	71.2	0	0	0	110.6	V97 L99 L111 P196 C197 L198 S199 P295 I297 G308 I327	V97-L306 HydrophobicContact CB-CD2 4.43Å; V97-L306 HydrophobicContact CG1-CD1 4.19Å; V97-L306 HydrophobicContact CG1-CD2 3.95Å; V97-L306 HydrophobicContact CG2-CD1 4.14Å; L99-L306 HydrophobicContact CD2-CD2 4.29Å; L111-L306 HydrophobicContact CD2-CD2 4.25Å; P196-L306 HydrophobicContact CB-CB 4.21Å; P196-L306 HydrophobicContact CG-CB 3.91Å; C197-L306 PolarHBondContact O-N 3.08Å; L198-L306 HydrophobicContact CD2-CB 4.25Å; L198-L306 HydrophobicContact CD2-CD2 4.11Å; S199-L306 PolarHBondContact N-O 2.82Å; P295-L306 HydrophobicContact CB-CD1 3.84Å; I297-L306 HydrophobicContact CG2-CB 4.49Å; I297-L306 HydrophobicContact CG2-CD1 4.14Å; L306-G308 WeakPolarHBondContact CD1-O 3.5Å; L306-I327 HydrophobicContact CD2-CD1 4.38Å; L306-I327 HydrophobicContact CD2-CG1 3.9Å; L306-I327 HydrophobicContact CG-CG1 3.9Å
307	Y	96.3	Very high	90.8	Very high	16 Å²	16	34.8 Å²	34.8	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-27.2	175.6	-81.2	-90	0	0	0	113.1	S199 L204 L296 C298 D300 T305 I327	S199-Y307 WeakPolarHBondContact OG-CE1 3.41Å; L204-Y307 HydrophobicContact CB-CD1 3.92Å; L204-Y307 HydrophobicContact CB-CE1 4.08Å; L204-Y307 HydrophobicContact CD1-CD1 3.91Å; L204-Y307 HydrophobicContact CD1-CD2 4.38Å; L204-Y307 HydrophobicContact CD1-CE1 3.72Å; L204-Y307 HydrophobicContact CD1-CE2 4.2Å; L204-Y307 HydrophobicContact CD1-CG 4.22Å; L204-Y307 HydrophobicContact CD2-CD1 4.06Å; L204-Y307 HydrophobicContact CD2-CG 4.07Å; L204-Y307 HydrophobicContact CG-CD1 4.18Å; L204-Y307 HydrophobicContact CG-CE1 4.36Å; L296-Y307 PolarHBondContact O-N 3.15Å; C298-Y307 HydrophobicContact CB-CD2 3.7Å; C298-Y307 HydrophobicContact CB-CE2 3.76Å; C298-Y307 VanDerWaalsContact SG-CD2 3.51Å; D300-Y307 HydrophobicContact CB-CE2 4.46Å; D300-Y307 PolarHBondContact OD2-OH 3.04Å; T305-Y307 HydrophobicContact CG2-CD2 4.19Å; T305-Y307 HydrophobicContact CG2-CE2 3.74Å; T305-Y307 WeakPolarHBondContact O-CD2 3.31Å; Y307-I327 PolarHBondContact O-N 2.83Å; Y307-I327 VanDerWaalsContact O-N 3.09Å
308	G	96.7	Very high	90.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.8	-179.2	0	0	0	0	0	115.7	L296 L306 M325	L296-G308 PolarHBondContact N-O 3.42Å; L296-G308 PolarHBondContact O-N 3.22Å; L306-G308 WeakPolarHBondContact CD1-O 3.5Å; G308-M325 WeakPolarHBondContact CA-O 3.39Å
309	I	97.6	Very high	89.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.2	170.2	-73	-78.4	0	0	0	108.4	V97 L111 A113 G293 K311 F324 M325 I327	V97-I309 HydrophobicContact CB-CD1 4.08Å; V97-I309 HydrophobicContact CG2-CD1 3.5Å; V97-I309 VanDerWaalsContact CG2-CD1 3.5Å; L111-I309 HydrophobicContact CB-CD1 4.25Å; L111-I309 HydrophobicContact CD2-CD1 4.12Å; L111-I309 HydrophobicContact CD2-CG1 3.74Å; L111-I309 HydrophobicContact CG-CD1 4.13Å; L111-I309 HydrophobicContact CG-CG1 3.99Å; A113-I309 HydrophobicContact CB-CG2 4.48Å; G293-I309 WeakPolarHBondContact O-CD1 2.92Å; I309-K311 PolarHBondContact O-N 2.84Å; I309-K311 VanDerWaalsContact O-N 3.16Å; I309-F324 CarbonylContact O-C 3.51Å; I309-F324 WeakPolarHBondContact O-CA 3.49Å; I309-M325 HydrophobicContact CB-CB 4.4Å; I309-M325 PolarHBondContact N-O 3.5Å; I309-M325 VanDerWaalsContact N-O 3.14Å; I309-M325 PolarHBondContact O-N 2.82Å; I309-I327 HydrophobicContact CB-CD1 4.24Å; I309-I327 HydrophobicContact CG1-CD1 3.55Å
310	T	96.8	Very high	89.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	116.9	-176.4	-61.1	0	0	0	0	110.6	V287 D291 G293 G294 F324	V287-T310 HydrophobicContact CB-CG2 3.78Å; V287-T310 HydrophobicContact CG1-CG2 3.63Å; V287-T310 HydrophobicContact CG2-CG2 3.49Å; V287-T310 VanDerWaalsContact CG2-CG2 3.49Å; D291-T310 HydrophobicContact CB-CG2 4.5Å; D291-T310 WeakPolarHBondContact O-CB 3.36Å; D291-T310 WeakPolarHBondContact O-CG2 3.49Å; G293-T310 PolarHBondContact N-O 3.28Å; G294-T310 WeakPolarHBondContact O-CB 3.44Å; G294-T310 PolarHBondContact O-N 2.84Å; G294-T310 PolarHBondContact O-OG1 3.18Å; T310-F324 HydrophobicContact CG2-CE1 4.48Å; T310-F324 WeakPolarHBondContact OG1-CE1 2.84Å
311	K	94.1	Very high	89.6	Confident	45 Å²	45	36 Å²	36	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-38	172.1	170.1	166.3	-178.8	75.5	0	111.3	H115 A174 D177 I309 L323 M325	H115-K311 PolarHBondContact CE1-O 3.47Å; H115-K311 VanDerWaalsContact CE1-O 3.26Å; A174-K311 PolarHBondContact O-NZ 2.6Å; D177-K311 HydrophobicContact CB-CD 4.03Å; D177-K311 HydrophobicContact CB-CG 4.35Å; D177-K311 WeakPolarHBondContact OD2-CG 3.32Å; D177-K311 IonicContact OD2-NZ 3.27Å; D177-K311 PolarHBondContact OD2-NZ 2.93Å; I309-K311 PolarHBondContact O-N 2.84Å; I309-K311 VanDerWaalsContact O-N 3.16Å; K311-L323 HydrophobicContact CB-CG 4.44Å; K311-L323 WeakPolarHBondContact CB-O 3.48Å; K311-L323 HydrophobicContact CD-CD2 3.64Å; K311-L323 HydrophobicContact CD-CG 4.25Å; K311-L323 HydrophobicContact CG-CD2 4.17Å; K311-L323 PolarHBondContact N-O 3.21Å; K311-M325 HydrophobicContact CB-CG 4.46Å; K311-M325 HydrophobicContact CB-SD 4.07Å; K311-M325 HydrophobicContact CD-SD 3.63Å; K311-M325 HydrophobicContact CG-SD 4.38Å
312	G	89.8	Confident	89.8	Confident	7 Å²	7	31.7 Å²	31.7	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-147.2	-179.3	0	0	0	0	0	111.4	V287 S322 L323	V287-G312 WeakPolarHBondContact CG2-O 3.37Å; G312-S322 CarbonylContact O-C 3.57Å; G312-S322 WeakPolarHBondContact O-CA 3.43Å; G312-L323 PolarHBondContact N-O 2.88Å; G312-L323 PolarHBondContact O-N 3.45Å
313	R	86.8	Confident	90.1	Very high	22 Å²	22	26.1 Å²	26.1	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	149.4	-174.3	176.2	172.6	-163.7	-168.8	3	111.1	Y223 G283 K285 V287 R320 P321	Y223-R313 HydrophobicContact CD1-CB 3.53Å; Y223-R313 HydrophobicContact CD1-CG 3.79Å; Y223-R313 HydrophobicContact CE1-CB 3.53Å; Y223-R313 HydrophobicContact CE1-CG 4.27Å; Y223-R313 VanDerWaalsContact CE1-O 3.25Å; Y223-R313 WeakPolarHBondContact CE1-O 3.48Å; Y223-R313 HydrophobicContact CG-CB 4.42Å; G283-R313 PolarHBondContact O-NH2 3.29Å; K285-R313 PolarHBondContact O-NH2 3.43Å; V287-R313 HydrophobicContact CG2-CB 4.16Å; V287-R313 WeakPolarHBondContact O-CD 3.4Å; V287-R313 PolarHBondContact O-NH1 3.36Å; R313-R320 HydrophobicContact CG-CB 4.5Å; R313-R320 PolarHBondContact NE-O 3.14Å; R313-R320 PolarHBondContact NH2-O 2.84Å; R313-P321 WeakPolarHBondContact CG-O 3.31Å
314	T	83.4	Confident	90.3	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.067	13%	0.134	C	C	.	.			trans	-83.4	143.6	177.8	-175.2	0	0	0	0	111.9	M266 V316 H317 R320 P321	M266-T314 HydrophobicContact CG-CG2 4.19Å; T314-V316 PolarHBondContact OG1-N 2.94Å; T314-V316 VanDerWaalsContact OG1-N 3.14Å; T314-H317 HydrophobicContact CG2-CB 4.29Å; T314-R320 WeakPolarHBondContact O-CB 3.44Å; T314-P321 HydrophobicContact CG2-CG 3.63Å; T314-P321 PolarHBondContact N-O 3.42Å; T314-P321 VanDerWaalsContact N-O 3.1Å
315	F	76	Confident	90.3	Very high	73 Å²	73	24.1 Å²	24.1	32%	0.32	13%	0.129	S	C	.	.	S	Bend	trans	-98.6	-16.7	170.3	-48.5	-77.3	0	0	0	112.7	V222 Y223	V222-F315 HydrophobicContact CB-CD1 4.33Å; V222-F315 HydrophobicContact CB-CE1 3.44Å; V222-F315 VanDerWaalsContact CB-CE1 3.44Å; V222-F315 HydrophobicContact CB-CZ 3.7Å; V222-F315 HydrophobicContact CG2-CE1 3.45Å; V222-F315 VanDerWaalsContact CG2-CE1 3.45Å; V222-F315 HydrophobicContact CG2-CZ 3.37Å; V222-F315 WeakPolarHBondContact O-CD1 3.47Å; V222-F315 WeakPolarHBondContact O-CE1 3.34Å; Y223-F315 AromaticContact CD1-CD1 3.75Å; Y223-F315 HydrophobicContact CD1-CD1 3.75Å; Y223-F315 AromaticContact CD1-CE1 2.96Å; Y223-F315 HydrophobicContact CD1-CE1 2.96Å; Y223-F315 HydrophobicContact CD1-CE2 4.36Å; Y223-F315 AromaticContact CD1-CZ 3.37Å; Y223-F315 HydrophobicContact CD1-CZ 3.37Å; Y223-F315 HydrophobicContact CD2-CE1 4.27Å; Y223-F315 HydrophobicContact CD2-CZ 4.49Å; Y223-F315 HydrophobicContact CE1-CD1 4.14Å; Y223-F315 AromaticContact CE1-CE1 3.17Å; Y223-F315 HydrophobicContact CE1-CE1 3.17Å; Y223-F315 AromaticContact CE1-CE2 3.77Å; Y223-F315 HydrophobicContact CE1-CE2 3.77Å; Y223-F315 AromaticContact CE1-CZ 2.95Å; Y223-F315 HydrophobicContact CE1-CZ 2.95Å; Y223-F315 HydrophobicContact CE2-CE1 4.47Å; Y223-F315 HydrophobicContact CE2-CZ 4.25Å; Y223-F315 HydrophobicContact CG-CD1 4.49Å; Y223-F315 AromaticContact CG-CE1 3.58Å; Y223-F315 HydrophobicContact CG-CE1 3.58Å; Y223-F315 HydrophobicContact CG-CZ 4.13Å; Y223-F315 AromaticContact CZ-CE1 3.97Å; Y223-F315 AromaticContact CZ-CZ 3.49Å; Y223-F315 VanDerWaalsContact CZ-CZ 3.49Å
316	V	76.9	Confident	90.4	Very high	120 Å²	120	25 Å²	25	73%	0.727	13%	0.133	S	C	*	.	S	Bend	trans	-76.8	-49.3	-168.2	-178.3	0	0	0	0	110.7	T314	T314-V316 PolarHBondContact OG1-N 2.94Å; T314-V316 VanDerWaalsContact OG1-N 3.14Å
317	H	85	Confident	90.3	Very high	35 Å²	35	25 Å²	25	16%	0.162	13%	0.133	C	C	.	.	S	Bend	trans	-85.4	136.8	-176.8	-169.5	-95.4	0	0	0	111.4	F261 Y264 A265 T314 S319 R320	F261-H317 AromaticContact CZ-CE1 3.86Å; Y264-H317 AromaticContact CD1-NE2 3.97Å; Y264-H317 AromaticContact CE1-CD2 3.89Å; Y264-H317 AromaticContact CE1-NE2 3.45Å; Y264-H317 WeakPolarHBondContact CE1-NE2 3.15Å; A265-H317 HydrophobicContact CB-CB 3.8Å; A265-H317 WeakPolarHBondContact O-CB 3.32Å; T314-H317 HydrophobicContact CG2-CB 4.29Å; H317-S319 PolarHBondContact CE1-OG 2.73Å; H317-S319 VanDerWaalsContact CE1-OG 3.31Å; H317-S319 WeakPolarHBondContact ND1-CB 3.5Å; H317-S319 PolarHBondContact ND1-N 3.13Å; H317-S319 VanDerWaalsContact ND1-N 3.19Å; H317-S319 PolarHBondContact ND1-OG 3Å; H317-S319 PolarHBondContact O-N 3.46Å; H317-R320 WeakPolarHBondContact O-CA 3.44Å; H317-R320 WeakPolarHBondContact O-CG 3.38Å; H317-R320 PolarHBondContact O-N 3.29Å
318	P	82.3	Confident	90.1	Very high	99 Å²	99	24.6 Å²	24.6	64%	0.643	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.6	-178.7	-28.6	35.4	0	0	0	114.7	R320	P318-R320 VanDerWaalsContact C-N 3.29Å; P318-R320 PolarHBondContact O-N 3.49Å
319	S	85	Confident	89.9	Confident	21 Å²	21	26.7 Å²	26.7	15%	0.147	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.7	177.1	77.2	0	0	0	0	114.5	F261 G283 H317 P321	F261-S319 VanDerWaalsContact CZ-OG 3.27Å; F261-S319 WeakPolarHBondContact CZ-OG 3.4Å; G283-S319 WeakPolarHBondContact CA-O 3.49Å; G283-S319 PolarHBondContact N-O 3.4Å; H317-S319 PolarHBondContact CE1-OG 2.73Å; H317-S319 VanDerWaalsContact CE1-OG 3.31Å; H317-S319 WeakPolarHBondContact ND1-CB 3.5Å; H317-S319 PolarHBondContact ND1-N 3.13Å; H317-S319 VanDerWaalsContact ND1-N 3.19Å; H317-S319 PolarHBondContact ND1-OG 3Å; H317-S319 PolarHBondContact O-N 3.46Å; S319-P321 WeakPolarHBondContact OG-CD 3.42Å
320	R	86.4	Confident	89.6	Confident	50 Å²	50	27.1 Å²	27.1	19%	0.189	15%	0.15	C	C	.	.			trans	39.8	57.6	175.7	-57.9	175.5	120.9	80.8	-0	114.1	Y223 R313 T314 H317 P318	Y223-R320 PolarHBondContact O-NE 3.38Å; R313-R320 HydrophobicContact CG-CB 4.5Å; R313-R320 PolarHBondContact NE-O 3.14Å; R313-R320 PolarHBondContact NH2-O 2.84Å; T314-R320 WeakPolarHBondContact O-CB 3.44Å; H317-R320 WeakPolarHBondContact O-CA 3.44Å; H317-R320 WeakPolarHBondContact O-CG 3.38Å; H317-R320 PolarHBondContact O-N 3.29Å; P318-R320 VanDerWaalsContact C-N 3.29Å; P318-R320 PolarHBondContact O-N 3.49Å
321	P	91.9	Very high	89.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.			trans	-61.4	144.2	175.6	27.2	-37.1	0	0	0	111.2	F261 A265 C277 R313 T314 S319	F261-P321 HydrophobicContact CE1-CG 4.36Å; A265-P321 HydrophobicContact CB-CG 4.02Å; C277-P321 HydrophobicContact CB-CB 4.26Å; R313-P321 WeakPolarHBondContact CG-O 3.31Å; T314-P321 HydrophobicContact CG2-CG 3.63Å; T314-P321 PolarHBondContact N-O 3.42Å; T314-P321 VanDerWaalsContact N-O 3.1Å; S319-P321 WeakPolarHBondContact OG-CD 3.42Å
322	S	93.4	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.6	167.3	-68.8	0	0	0	0	110.1	C277 A278 G286 V287 G312 F324	C277-S322 CarbonylContact C-O 3.58Å; C277-S322 WeakPolarHBondContact CA-O 3.43Å; C277-S322 VanDerWaalsContact CB-O 3.32Å; C277-S322 WeakPolarHBondContact CB-O 3.44Å; A278-S322 PolarHBondContact N-O 3.19Å; A278-S322 PolarHBondContact O-N 2.87Å; G286-S322 WeakPolarHBondContact CA-OG 3.35Å; V287-S322 VanDerWaalsContact CG2-OG 3.23Å; V287-S322 WeakPolarHBondContact CG2-OG 3.34Å; V287-S322 PolarHBondContact N-OG 3.44Å; G312-S322 CarbonylContact O-C 3.57Å; G312-S322 WeakPolarHBondContact O-CA 3.43Å; S322-F324 VanDerWaalsContact CB-CE2 3.44Å; S322-F324 WeakPolarHBondContact O-CE2 3.25Å
323	L	94.5	Very high	89.3	Confident	7 Å²	7	35 Å²	35	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.3	179.6	-175	66.8	0	0	0	109.6	M266 F270 H275 K311 G312	M266-L323 HydrophobicContact CE-CB 3.79Å; M266-L323 HydrophobicContact CE-CD1 4.11Å; M266-L323 HydrophobicContact CE-CD2 3.66Å; M266-L323 HydrophobicContact CE-CG 4.06Å; M266-L323 HydrophobicContact SD-CB 4.18Å; M266-L323 HydrophobicContact SD-CD1 3.89Å; M266-L323 HydrophobicContact SD-CG 4.42Å; F270-L323 HydrophobicContact CD2-CD1 3.83Å; F270-L323 HydrophobicContact CE2-CD1 4.42Å; H275-L323 HydrophobicContact CB-CD1 3.71Å; K311-L323 HydrophobicContact CB-CG 4.44Å; K311-L323 WeakPolarHBondContact CB-O 3.48Å; K311-L323 HydrophobicContact CD-CD2 3.64Å; K311-L323 HydrophobicContact CD-CG 4.25Å; K311-L323 HydrophobicContact CG-CD2 4.17Å; K311-L323 PolarHBondContact N-O 3.21Å; G312-L323 PolarHBondContact N-O 2.88Å; G312-L323 PolarHBondContact O-N 3.45Å
324	F	96.8	Very high	89.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.7	-176.8	-52.1	-91	0	0	0	110	V212 H275 I276 A278 V287 L296 I309 T310 S322	V212-F324 HydrophobicContact CG1-CE1 3.68Å; V212-F324 HydrophobicContact CG1-CZ 3.68Å; H275-F324 CarbonylContact C-O 3.6Å; H275-F324 VanDerWaalsContact CA-O 3.31Å; H275-F324 WeakPolarHBondContact CA-O 3.33Å; I276-F324 PolarHBondContact N-O 2.9Å; I276-F324 PolarHBondContact O-N 3.14Å; A278-F324 HydrophobicContact CB-CE2 3.83Å; V287-F324 HydrophobicContact CG1-CE1 4.23Å; V287-F324 HydrophobicContact CG1-CZ 4.37Å; L296-F324 HydrophobicContact CB-CD1 3.67Å; L296-F324 HydrophobicContact CB-CE1 3.9Å; L296-F324 HydrophobicContact CB-CG 4.11Å; L296-F324 HydrophobicContact CD1-CE1 4.3Å; L296-F324 HydrophobicContact CD1-CE2 4.34Å; L296-F324 HydrophobicContact CD1-CZ 4.12Å; L296-F324 HydrophobicContact CD2-CB 4.34Å; L296-F324 HydrophobicContact CD2-CD1 4.32Å; L296-F324 HydrophobicContact CD2-CD2 3.89Å; L296-F324 HydrophobicContact CD2-CE2 4.29Å; L296-F324 HydrophobicContact CD2-CG 3.92Å; L296-F324 HydrophobicContact CG-CD1 4.44Å; I309-F324 CarbonylContact O-C 3.51Å; I309-F324 WeakPolarHBondContact O-CA 3.49Å; T310-F324 HydrophobicContact CG2-CE1 4.48Å; T310-F324 WeakPolarHBondContact OG1-CE1 2.84Å; S322-F324 VanDerWaalsContact CB-CE2 3.44Å; S322-F324 WeakPolarHBondContact O-CE2 3.25Å
325	M	96.4	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.6	166.1	-55.4	-46.3	-58.3	0	0	108.8	K175 D177 I178 G308 I309 K311 I327 Y330	K175-M325 VanDerWaalsContact O-CE 3.32Å; K175-M325 WeakPolarHBondContact O-CE 3.45Å; D177-M325 HydrophobicContact CB-SD 3.91Å; D177-M325 WeakPolarHBondContact O-CG 3.19Å; I178-M325 HydrophobicContact CB-CG 4.41Å; G308-M325 WeakPolarHBondContact CA-O 3.39Å; I309-M325 HydrophobicContact CB-CB 4.4Å; I309-M325 PolarHBondContact N-O 3.5Å; I309-M325 VanDerWaalsContact N-O 3.14Å; I309-M325 PolarHBondContact O-N 2.82Å; K311-M325 HydrophobicContact CB-CG 4.46Å; K311-M325 HydrophobicContact CB-SD 4.07Å; K311-M325 HydrophobicContact CD-SD 3.63Å; K311-M325 HydrophobicContact CG-SD 4.38Å; M325-I327 PolarHBondContact O-N 2.98Å; M325-Y330 HydrophobicContact CB-CE2 4.07Å; M325-Y330 HydrophobicContact CE-CE2 3.64Å; M325-Y330 VanDerWaalsContact CE-CZ 3.49Å; M325-Y330 WeakPolarHBondContact CE-OH 3.19Å
326	K	95.6	Very high	90.6	Very high	17 Å²	17	35.4 Å²	35.4	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	109	178.8	-177.1	-175.9	-54.7	173.2	0	110.1	N202 Y272 V274 H275 I276 A328 S329 Y330	N202-K326 WeakPolarHBondContact O-CD 3.42Å; Y272-K326 PolarHBondContact O-NZ 3.01Å; V274-K326 WeakPolarHBondContact O-CB 3.32Å; V274-K326 PolarHBondContact O-N 2.75Å; H275-K326 WeakPolarHBondContact O-CE 3.31Å; I276-K326 HydrophobicContact CD1-CB 4.14Å; I276-K326 HydrophobicContact CD1-CD 4.41Å; I276-K326 HydrophobicContact CD1-CG 3.78Å; I276-K326 HydrophobicContact CG1-CB 4.14Å; I276-K326 HydrophobicContact CG1-CG 4.14Å; K326-A328 VanDerWaalsContact C-N 3.3Å; K326-A328 PolarHBondContact O-N 2.93Å; K326-S329 WeakPolarHBondContact CD-OG 3.45Å; K326-S329 WeakPolarHBondContact O-CB 3.31Å; K326-S329 PolarHBondContact O-N 3.03Å; K326-Y330 WeakPolarHBondContact O-CD2 3.34Å
327	I	93.9	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.9	-40.2	-171.4	-66.4	-45.8	0	0	0	113.8	L111 I178 L306 Y307 I309 M325 S329 Y330 A331	L111-I327 HydrophobicContact CD2-CD1 3.45Å; L111-I327 VanDerWaalsContact CD2-CD1 3.45Å; L111-I327 HydrophobicContact CD2-CG1 4.44Å; I178-I327 HydrophobicContact CD1-CD1 4.04Å; L306-I327 HydrophobicContact CD2-CD1 4.38Å; L306-I327 HydrophobicContact CD2-CG1 3.9Å; L306-I327 HydrophobicContact CG-CG1 3.9Å; Y307-I327 PolarHBondContact O-N 2.83Å; Y307-I327 VanDerWaalsContact O-N 3.09Å; I309-I327 HydrophobicContact CB-CD1 4.24Å; I309-I327 HydrophobicContact CG1-CD1 3.55Å; M325-I327 PolarHBondContact O-N 2.98Å; I327-S329 PolarHBondContact O-N 3.49Å; I327-Y330 WeakPolarHBondContact O-CA 3.19Å; I327-Y330 PolarHBondContact O-N 2.62Å; I327-A331 PolarHBondContact O-N 3.29Å
328	A	92.3	Very high	91.3	Very high	9 Å²	9	36.4 Å²	36.4	7%	0.074	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-59.1	-31.1	180	0	0	0	0	0	112.7	N201 N202 K326 Y330 A331 W343	N201-A328 WeakPolarHBondContact O-CB 2.98Å; N202-A328 VanDerWaalsContact OD1-C 3.28Å; N202-A328 WeakPolarHBondContact OD1-CB 3.4Å; K326-A328 VanDerWaalsContact C-N 3.3Å; K326-A328 PolarHBondContact O-N 2.93Å; A328-Y330 PolarHBondContact O-N 3.29Å; A328-A331 WeakPolarHBondContact O-CB 3.41Å; A328-A331 PolarHBondContact O-N 2.81Å; A328-W343 HydrophobicContact CB-CH2 3.66Å; A328-W343 HydrophobicContact CB-CZ3 3.52Å
329	S	92.6	Very high	91.4	Very high	44 Å²	44	34.4 Å²	34.4	31%	0.308	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-70.6	-14.3	174.6	-48.3	0	0	0	0	114.1	N202 E273 K326 I327	N202-S329 PolarHBondContact OD1-N 3.46Å; E273-S329 PolarHBondContact O-OG 2.89Å; K326-S329 WeakPolarHBondContact CD-OG 3.45Å; K326-S329 WeakPolarHBondContact O-CB 3.31Å; K326-S329 PolarHBondContact O-N 3.03Å; I327-S329 PolarHBondContact O-N 3.49Å
330	Y	92.8	Very high	91.2	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-109	9.4	-179.4	-64.3	-77.9	0	0	0	112.9	N176 I178 V274 M325 K326 I327 A328 Q332 F333 I334	N176-Y330 WeakPolarHBondContact CA-OH 3.31Å; N176-Y330 HydrophobicContact CB-CE1 4.02Å; N176-Y330 PolarHBondContact OD1-OH 2.9Å; I178-Y330 HydrophobicContact CD1-CD1 4.35Å; I178-Y330 HydrophobicContact CD1-CD2 3.74Å; I178-Y330 HydrophobicContact CD1-CE2 4.45Å; I178-Y330 HydrophobicContact CD1-CG 3.7Å; I178-Y330 HydrophobicContact CG2-CD1 3.48Å; I178-Y330 VanDerWaalsContact CG2-CD1 3.48Å; I178-Y330 HydrophobicContact CG2-CD2 4.4Å; I178-Y330 HydrophobicContact CG2-CE1 3.55Å; I178-Y330 HydrophobicContact CG2-CG 3.93Å; V274-Y330 HydrophobicContact CB-CE2 4.41Å; M325-Y330 HydrophobicContact CB-CE2 4.07Å; M325-Y330 HydrophobicContact CE-CE2 3.64Å; M325-Y330 VanDerWaalsContact CE-CZ 3.49Å; M325-Y330 WeakPolarHBondContact CE-OH 3.19Å; K326-Y330 WeakPolarHBondContact O-CD2 3.34Å; I327-Y330 WeakPolarHBondContact O-CA 3.19Å; I327-Y330 PolarHBondContact O-N 2.62Å; A328-Y330 PolarHBondContact O-N 3.29Å; Y330-Q332 VanDerWaalsContact C-N 3.29Å; Y330-Q332 PolarHBondContact O-N 3.5Å; Y330-F333 PolarHBondContact O-N 3.44Å; Y330-F333 VanDerWaalsContact O-N 3.14Å; Y330-I334 WeakPolarHBondContact O-CG1 3.49Å; Y330-I334 PolarHBondContact O-N 3.06Å
331	A	90.9	Very high	90.6	Very high	12 Å²	12	37.6 Å²	37.6	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-55.2	-44	179.7	0	0	0	0	0	112.1	I327 A328 I334 R335 W342 W343	I327-A331 PolarHBondContact O-N 3.29Å; A328-A331 WeakPolarHBondContact O-CB 3.41Å; A328-A331 PolarHBondContact O-N 2.81Å; A331-I334 PolarHBondContact O-N 3.44Å; A331-R335 WeakPolarHBondContact O-CB 3.41Å; A331-R335 PolarHBondContact O-N 3.08Å; A331-W342 HydrophobicContact CB-CH2 4.35Å; A331-W342 HydrophobicContact CB-CZ2 3.82Å; A331-W343 HydrophobicContact CB-CD2 4.42Å; A331-W343 HydrophobicContact CB-CE3 4.18Å
332	Q	90.1	Very high	89.8	Confident	173 Å²	173	38 Å²	38	81%	0.808	21%	0.213	S	C	*	.	H	α-helix	trans	-65.1	-42.3	178.1	-171.1	-179.7	14.8	0	0	112.5	Y330 G336	Y330-Q332 VanDerWaalsContact C-N 3.29Å; Y330-Q332 PolarHBondContact O-N 3.5Å; Q332-G336 PolarHBondContact O-N 3.05Å
333	F	92.3	Very high	88.4	Confident	32 Å²	32	41.4 Å²	41.4	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-50.8	176.6	162.3	-108	0	0	0	110.8	I168 A170 I178 L180 Y330 G336 R337	I168-F333 HydrophobicContact CG2-CE2 4.15Å; I168-F333 HydrophobicContact CG2-CZ 4.28Å; A170-F333 HydrophobicContact CB-CD1 4.23Å; A170-F333 HydrophobicContact CB-CD2 4.14Å; A170-F333 HydrophobicContact CB-CE1 4.13Å; A170-F333 HydrophobicContact CB-CE2 4.03Å; A170-F333 HydrophobicContact CB-CG 4.24Å; A170-F333 HydrophobicContact CB-CZ 4.03Å; I178-F333 HydrophobicContact CG2-CD1 4.39Å; I178-F333 HydrophobicContact CG2-CE1 4.32Å; L180-F333 HydrophobicContact CD1-CE1 3.93Å; L180-F333 HydrophobicContact CD1-CZ 3.96Å; L180-F333 HydrophobicContact CG-CE1 3.93Å; L180-F333 HydrophobicContact CG-CZ 4.16Å; Y330-F333 PolarHBondContact O-N 3.44Å; Y330-F333 VanDerWaalsContact O-N 3.14Å; F333-G336 PolarHBondContact O-N 3.4Å; F333-R337 HydrophobicContact CD2-CG 4.08Å; F333-R337 HydrophobicContact CE2-CG 3.86Å; F333-R337 VanDerWaalsContact O-CG 3.26Å; F333-R337 WeakPolarHBondContact O-CG 2.86Å; F333-R337 PolarHBondContact O-N 3.43Å
334	I	92.4	Very high	86.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-49.8	-177.8	-62.6	165.1	0	0	0	109.4	L99 L111 L180 Y330 A331 G336 R337 T338 I340 W342	L99-I334 HydrophobicContact CD1-CG2 3.79Å; L111-I334 HydrophobicContact CD1-CD1 4.09Å; L111-I334 HydrophobicContact CD1-CG1 4.26Å; L111-I334 HydrophobicContact CD2-CD1 4.15Å; L180-I334 HydrophobicContact CD2-CG2 4.48Å; Y330-I334 WeakPolarHBondContact O-CG1 3.49Å; Y330-I334 PolarHBondContact O-N 3.06Å; A331-I334 PolarHBondContact O-N 3.44Å; I334-G336 PolarHBondContact O-N 3.42Å; I334-R337 PolarHBondContact O-N 3.39Å; I334-R337 VanDerWaalsContact O-N 3.14Å; I334-T338 HydrophobicContact CG2-CG2 4.24Å; I334-T338 WeakPolarHBondContact O-CB 3.38Å; I334-T338 WeakPolarHBondContact O-CG2 3.31Å; I334-T338 PolarHBondContact O-N 3.2Å; I334-T338 PolarHBondContact O-OG1 2.98Å; I334-I340 HydrophobicContact CG2-CD1 4.34Å; I334-W342 HydrophobicContact CB-CH2 3.51Å; I334-W342 HydrophobicContact CB-CZ3 3.91Å; I334-W342 HydrophobicContact CD1-CH2 3.71Å; I334-W342 HydrophobicContact CD1-CZ2 4.28Å; I334-W342 HydrophobicContact CG1-CH2 4.18Å; I334-W342 HydrophobicContact CG2-CH2 3.46Å; I334-W342 VanDerWaalsContact CG2-CH2 3.46Å; I334-W342 HydrophobicContact CG2-CZ3 3.47Å; I334-W342 VanDerWaalsContact CG2-CZ3 3.47Å
335	R	90	Very high	84.3	Confident	49 Å²	49	57 Å²	57	19%	0.185	30%	0.297	C	S	.	.	H	α-helix	trans	-55.7	-49.4	177.3	-178.5	-178.4	-172.6	168.9	12.4	111.8	A331 R337 T338 G339 I340 E341 Y345	A331-R335 WeakPolarHBondContact O-CB 3.41Å; A331-R335 PolarHBondContact O-N 3.08Å; R335-R337 PolarHBondContact O-N 3.43Å; R335-R337 VanDerWaalsContact O-N 3.16Å; R335-T338 PolarHBondContact O-N 3.02Å; R335-G339 WeakPolarHBondContact O-CA 3.32Å; R335-G339 PolarHBondContact O-N 3.27Å; R335-I340 WeakPolarHBondContact CG-O 3.29Å; R335-E341 IonicContact CZ-OE1 2.78Å; R335-E341 IonicContact NE-OE1 3.82Å; R335-E341 IonicContact NH2-OE1 2.94Å; R335-E341 PolarHBondContact NH2-OE1 3.15Å; R335-E341 IonicContact NH2-OE2 3.63Å; R335-Y345 PolarHBondContact NH1-OH 3.06Å; R335-Y345 PolarHBondContact NH2-OH 3.46Å
336	G	90.7	Very high	83.7	Confident	66 Å²	66	59.9 Å²	59.9	68%	0.68	31%	0.311	S	S	*	.	H	α-helix	trans	-63.8	-20.6	-178.3	0	0	0	0	0	114.2	Q332 F333 I334	Q332-G336 PolarHBondContact O-N 3.05Å; F333-G336 PolarHBondContact O-N 3.4Å; I334-G336 PolarHBondContact O-N 3.42Å
337	R	90.4	Very high	83	Confident	140 Å²	140	62.2 Å²	62.2	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-103.2	-18.9	179.8	-62	-58.7	-175.2	-175	-0.1	114.3	I168 L180 F333 I334 R335	I168-R337 HydrophobicContact CD1-CB 4.18Å; I168-R337 HydrophobicContact CG2-CG 4.01Å; L180-R337 HydrophobicContact CD1-CB 3.7Å; L180-R337 HydrophobicContact CD1-CG 4.42Å; F333-R337 HydrophobicContact CD2-CG 4.08Å; F333-R337 HydrophobicContact CE2-CG 3.86Å; F333-R337 VanDerWaalsContact O-CG 3.26Å; F333-R337 WeakPolarHBondContact O-CG 2.86Å; F333-R337 PolarHBondContact O-N 3.43Å; I334-R337 PolarHBondContact O-N 3.39Å; I334-R337 VanDerWaalsContact O-N 3.14Å; R335-R337 PolarHBondContact O-N 3.43Å; R335-R337 VanDerWaalsContact O-N 3.16Å
338	T	87.4	Confident	82.4	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.221	34%	0.342	C	S	.	.	H	α-helix	trans	-124.4	-18	-170.6	64.9	0	0	0	0	113.5	V109 L180 I334 R335 I340	V109-T338 HydrophobicContact CG1-CG2 3.61Å; V109-T338 HydrophobicContact CG2-CG2 4.4Å; L180-T338 HydrophobicContact CD1-CG2 3.63Å; L180-T338 HydrophobicContact CD2-CG2 4.25Å; I334-T338 HydrophobicContact CG2-CG2 4.24Å; I334-T338 WeakPolarHBondContact O-CB 3.38Å; I334-T338 WeakPolarHBondContact O-CG2 3.31Å; I334-T338 PolarHBondContact O-N 3.2Å; I334-T338 PolarHBondContact O-OG1 2.98Å; R335-T338 PolarHBondContact O-N 3.02Å; T338-I340 HydrophobicContact CG2-CD1 4.25Å; T338-I340 PolarHBondContact O-N 3.1Å; T338-I340 WeakPolarHBondContact OG1-CD1 3.43Å; T338-I340 WeakPolarHBondContact OG1-CG1 3.3Å; T338-I340 PolarHBondContact OG1-N 3.35Å
339	G	83	Confident	81.9	Confident	58 Å²	58	68.9 Å²	68.9	60%	0.598	36%	0.358	S	S	*	.			trans	71.6	3.3	-171.2	0	0	0	0	0	114.3	R335 E341	R335-G339 WeakPolarHBondContact O-CA 3.32Å; R335-G339 PolarHBondContact O-N 3.27Å; G339-E341 PolarHBondContact O-N 3.45Å
340	I	80.8	Confident	81.2	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.046	36%	0.361	C	S	.	.			trans	-66.3	118.8	178.5	-56.5	163.8	0	0	0	108.8	L99 P100 T101 V109 I334 R335 T338 W342	L99-I340 HydrophobicContact CB-CD1 4.12Å; L99-I340 HydrophobicContact CD1-CD1 4.34Å; P100-I340 VanDerWaalsContact O-CD1 3.25Å; P100-I340 WeakPolarHBondContact O-CD1 3.1Å; P100-I340 WeakPolarHBondContact O-CG2 3.42Å; T101-I340 HydrophobicContact CG2-CD1 4.36Å; V109-I340 HydrophobicContact CB-CD1 4.41Å; V109-I340 HydrophobicContact CG1-CD1 4.15Å; V109-I340 HydrophobicContact CG2-CD1 4.5Å; I334-I340 HydrophobicContact CG2-CD1 4.34Å; R335-I340 WeakPolarHBondContact CG-O 3.29Å; T338-I340 HydrophobicContact CG2-CD1 4.25Å; T338-I340 PolarHBondContact O-N 3.1Å; T338-I340 WeakPolarHBondContact OG1-CD1 3.43Å; T338-I340 WeakPolarHBondContact OG1-CG1 3.3Å; T338-I340 PolarHBondContact OG1-N 3.35Å; I340-W342 HydrophobicContact CB-CE3 4.01Å; I340-W342 HydrophobicContact CB-CZ3 4.07Å; I340-W342 HydrophobicContact CG2-CE3 3.53Å; I340-W342 HydrophobicContact CG2-CZ3 4.01Å
341	E	75	Confident	80.4	Confident	129 Å²	129	74.6 Å²	74.6	60%	0.603	38%	0.382	S	S	*	.			trans	-104.8	100.3	175.3	-58.8	-161.8	152.8	0	0	110.1	R335 G339	R335-E341 IonicContact CZ-OE1 2.78Å; R335-E341 IonicContact NE-OE1 3.82Å; R335-E341 IonicContact NH2-OE1 2.94Å; R335-E341 PolarHBondContact NH2-OE1 3.15Å; R335-E341 IonicContact NH2-OE2 3.63Å; G339-E341 PolarHBondContact O-N 3.45Å
342	W	75.3	Confident	79.7	Confident	7 Å²	7	79.1 Å²	79.1	3%	0.027	40%	0.403	C	S	.	.			trans	-125.6	-6.7	176.3	80.7	89.5	0	0	0	113.7	Y49 L198 Q200 A331 I334 I340	Y49-W342 HydrophobicContact CD1-CB 3.91Å; Y49-W342 HydrophobicContact CD2-CB 3.53Å; Y49-W342 HydrophobicContact CE1-CB 4.28Å; Y49-W342 HydrophobicContact CE2-CB 3.91Å; Y49-W342 HydrophobicContact CG-CB 3.51Å; Y49-W342 HydrophobicContact CG-CG 4.43Å; L198-W342 HydrophobicContact CB-CD2 4.43Å; L198-W342 HydrophobicContact CB-CG 4.07Å; L198-W342 HydrophobicContact CD1-CB 4.34Å; L198-W342 HydrophobicContact CD1-CD2 3.47Å; L198-W342 VanDerWaalsContact CD1-CD2 3.47Å; L198-W342 HydrophobicContact CD1-CE3 3.86Å; L198-W342 HydrophobicContact CD1-CG 3.72Å; L198-W342 HydrophobicContact CD1-CH2 4.22Å; L198-W342 HydrophobicContact CD1-CZ2 3.98Å; L198-W342 HydrophobicContact CD1-CZ3 4.21Å; Q200-W342 PolarHBondContact NE2-O 2.68Å; A331-W342 HydrophobicContact CB-CH2 4.35Å; A331-W342 HydrophobicContact CB-CZ2 3.82Å; I334-W342 HydrophobicContact CB-CH2 3.51Å; I334-W342 HydrophobicContact CB-CZ3 3.91Å; I334-W342 HydrophobicContact CD1-CH2 3.71Å; I334-W342 HydrophobicContact CD1-CZ2 4.28Å; I334-W342 HydrophobicContact CG1-CH2 4.18Å; I334-W342 HydrophobicContact CG2-CH2 3.46Å; I334-W342 VanDerWaalsContact CG2-CH2 3.46Å; I334-W342 HydrophobicContact CG2-CZ3 3.47Å; I334-W342 VanDerWaalsContact CG2-CZ3 3.47Å; I340-W342 HydrophobicContact CB-CE3 4.01Å; I340-W342 HydrophobicContact CB-CZ3 4.07Å; I340-W342 HydrophobicContact CG2-CE3 3.53Å; I340-W342 HydrophobicContact CG2-CZ3 4.01Å
343	W	62.8	Low	78.9	Confident	73 Å²	73	71.8 Å²	71.8	28%	0.277	37%	0.371	S	S	.	.	S	Bend	trans	-112.4	126.6	-176.5	-162.5	-80.1	0	0	0	109.5	S199 Q200 A328 A331 Y345	S199-W343 WeakPolarHBondContact O-CZ3 3.21Å; Q200-W343 HydrophobicContact CB-CE3 4.36Å; Q200-W343 HydrophobicContact CB-CZ3 4.39Å; Q200-W343 WeakPolarHBondContact O-CH2 3.31Å; Q200-W343 WeakPolarHBondContact O-CZ2 2.92Å; Q200-W343 WeakPolarHBondContact O-CZ3 3.38Å; A328-W343 HydrophobicContact CB-CH2 3.66Å; A328-W343 HydrophobicContact CB-CZ3 3.52Å; A331-W343 HydrophobicContact CB-CD2 4.42Å; A331-W343 HydrophobicContact CB-CE3 4.18Å; W343-Y345 PolarHBondContact O-N 3.04Å
344	P	53.3	Low	77.8	Confident	82 Å²	82	75.2 Å²	75.2	53%	0.532	39%	0.391	S	S	.	.			trans	-69	130.5	174.2	26.4	-29.8	0	0	0	110
345	Y	51.9	Low	76.4	Confident	253 Å²	253	82 Å²	82	99%	0.992	43%	0.426	S	S	*	.			trans	-51.2	0	178.1	-82.1	-76.5	0	0	0	113.8	R335 W343	R335-Y345 PolarHBondContact NH1-OH 3.06Å; R335-Y345 PolarHBondContact NH2-OH 3.46Å; W343-Y345 PolarHBondContact O-N 3.04Å

Retrieved 345 of 345 residues in 105 ms (Link to these results)

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